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76693-04-4 | 4,4-Dimethyl-3,4-dihydroquinolin-2(1H);-one
CAS No: 76693-04-4 Catalog No: AG008PGZ MDL No:MFCD11040447
Product Description
Catalog Number:
AG008PGZ
Chemical Name:
4,4-Dimethyl-3,4-dihydroquinolin-2(1H);-one
CAS Number:
76693-04-4
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD11040447
IUPAC Name:
4,4-dimethyl-1,3-dihydroquinolin-2-one
InChI:
InChI=1S/C11H13NO/c1-11(2)7-10(13)12-9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3,(H,12,13)
InChI Key:
HMOBRUPKXAKFHS-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2C(C1)(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis of potential Rho-kinase inhibitors based on the chemistry of an original heterocycle: 4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one. | European journal of medicinal chemistry 20080801 |
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