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99471-41-7 | 2(1H)-Quinolinone, 3,4-dihydro-6-(3-pyridinyl)-
CAS No: 99471-41-7 Catalog No: AG005SB2 MDL No:
Product Description
Catalog Number:
AG005SB2
Chemical Name:
2(1H)-Quinolinone, 3,4-dihydro-6-(3-pyridinyl)-
CAS Number:
99471-41-7
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C14H12N2O/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17)
InChI Key:
MPGBYGNPFRLHAO-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)ccc(c2)c1cccnc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Selective dual inhibitors of CYP19 and CYP11B2: targeting cardiovascular diseases hiding in the shadow of breast cancer. | Journal of medicinal chemistry 20120823 |
| Fine-tuning the selectivity of aldosterone synthase inhibitors: structure-activity and structure-selectivity insights from studies of heteroaryl substituted 1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one derivatives. | Journal of medicinal chemistry 20110414 |
| In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-1H-quinolin-2-one derivatives. | Journal of medicinal chemistry 20081225 |
| 3,4-Dihydroquinolin-2(1H)-ones as combined inhibitors of thromboxane A2 synthase and cAMP phosphodiesterase. | Journal of medicinal chemistry 19920221 |
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