2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide

C21H15ClFN3O2 — CID 3887888

IUPAC2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
SMILESO=C(Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O)c1ccccc1Cl
InChIInChI=1S/C21H15ClFN3O2/c22-17-4-2-1-3-15(17)20(28)26-21-24-11-16-18(25-21)9-13(10-19(16)27)12-5-7-14(23)8-6-12/h1-8,11,13H,9-10H2,(H,24,25,26,28)
InChIKeyAHCIQEANNVLNHM-UHFFFAOYSA-N
MW395.82 g/mol
LogP4.43
Rot. Bonds3

About 2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide

2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide (PubChem CID 3887888) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is 2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
PubChem CID3887888
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC Name2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
SMILESO=C(Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O)c1ccccc1Cl
InChIInChI=1S/C21H15ClFN3O2/c22-17-4-2-1-3-15(17)20(28)26-21-24-11-16-18(25-21)9-13(10-19(16)27)12-5-7-14(23)8-6-12/h1-8,11,13H,9-10H2,(H,24,25,26,28)
InChIKeyAHCIQEANNVLNHM-UHFFFAOYSA-N
XLogP4.43
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 7354569
2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 40968935
2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 3581185
N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide
CID 40665128
3-chloro-N-[(7R)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2016919
N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 831476
N-[(7S)-7-(4-tert-butylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2044089
N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
CID 940577
(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41286955
(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1389056
N-[(7R)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-nitrobenzamide
CID 1423115
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 2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide (CID 3887888) is 2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide is O=C(Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The InChIKey is AHCIQEANNVLNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c22-17-4-2-1-3-15(17)20(28)26-21-24-11-16-18(25-21)9-13(10-19(16)27)12-5-7-14(23)8-6-12/h1-8,11,13H,9-10H2,(H,24,25,26,28).
What are the key properties of 2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide has a molecular weight of 395.82 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide is sourced from PubChem (CID 3887888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).