N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

C16H14ClN3O2 — CID 831476

IUPACN-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O
InChIInChI=1S/C16H14ClN3O2/c1-9(21)19-16-18-8-13-14(20-16)6-11(7-15(13)22)10-2-4-12(17)5-3-10/h2-5,8,11H,6-7H2,1H3,(H,18,19,20,21)/t11-/m0/s1
InChIKeyYHQQXTBSSIUKPE-NSHDSACASA-N
MW315.76 g/mol
LogP3.00
Rot. Bonds2

About N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide (PubChem CID 831476) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
PubChem CID831476
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O
InChIInChI=1S/C16H14ClN3O2/c1-9(21)19-16-18-8-13-14(20-16)6-11(7-15(13)22)10-2-4-12(17)5-3-10/h2-5,8,11H,6-7H2,1H3,(H,18,19,20,21)/t11-/m0/s1
InChIKeyYHQQXTBSSIUKPE-NSHDSACASA-N
XLogP3.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3139680
(7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285448
N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3834422
N-[(7R)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-nitrobenzamide
CID 1423115
2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 1491873
2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 3581185
3-chloro-N-[(7R)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2016919
2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 3887888
2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
CID 2022304
N-[(7S)-7-(4-tert-butylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2044089
N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide
CID 2985635
N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide
CID 7354491

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The IUPAC name of N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide (CID 831476) is N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The canonical SMILES for N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide is CC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O.
What is the InChIKey of N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
The InChIKey is YHQQXTBSSIUKPE-NSHDSACASA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-9(21)19-16-18-8-13-14(20-16)6-11(7-15(13)22)10-2-4-12(17)5-3-10/h2-5,8,11H,6-7H2,1H3,(H,18,19,20,21)/t11-/m0/s1.
What are the key properties of N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide?
N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide has a molecular weight of 315.76 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide is sourced from PubChem (CID 831476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).