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Home > Pyridines > 159565-60-3
159565-60-3 | 2(1H)-Quinazolinone, 4-cyclopropyl-3,4-dihydro-4-(2-pyridinylethynyl)-, (4S)-
CAS No: 159565-60-3 Catalog No: AG001R5L MDL No:
Product Description
Catalog Number:
AG001R5L
Chemical Name:
2(1H)-Quinazolinone, 4-cyclopropyl-3,4-dihydro-4-(2-pyridinylethynyl)-, (4S)-
CAS Number:
159565-60-3
Molecular Formula:
C18H15N3O
Molecular Weight:
289.3312
IUPAC Name:
(4S)-6-chloro-4-cyclopropyl-4-(2-pyridin-2-ylethynyl)-1,3-dihydroquinazolin-2-one
InChI:
InChI=1S/C18H14ClN3O/c19-13-6-7-16-15(11-13)18(12-4-5-12,22-17(23)21-16)9-8-14-3-1-2-10-20-14/h1-3,6-7,10-12H,4-5H2,(H2,21,22,23)/t18-/m1/s1
InChI Key:
VQWNFBGVGJSEIS-GOSISDBHSA-N
SMILES:
O=C1Nc2ccccc2[C@@](N1)(C#Cc1ccccn1)C1CC1
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
323.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.78g/mol
Monoisotopic Mass:
323.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis of a series of 4-(arylethynyl)-6-chloro-4-cyclopropyl-3,4-dihydroquinazolin-2(1H)-ones as novel non-nucleoside HIV-1 reverse transcriptase inhibitors. | Journal of medicinal chemistry 19940722 |
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