N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide

C23H16FN3O3 — CID 45495109

IUPACN-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4F)cnc3c2)cc1
InChIInChI=1S/C23H16FN3O3/c1-14(28)15-6-9-17(10-7-15)26-22(29)16-8-11-18-20(12-16)25-13-27(23(18)30)21-5-3-2-4-19(21)24/h2-13H,1H3,(H,26,29)
InChIKeyHXZLXTBKKYOJIU-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.98
Rot. Bonds4

About N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide

N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide (PubChem CID 45495109) has the molecular formula C23H16FN3O3 and a molecular weight of 401.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide
PubChem CID45495109
Molecular FormulaC23H16FN3O3
Molecular Weight401.40 g/mol
Exact Mass401.12
IUPAC NameN-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4F)cnc3c2)cc1
InChIInChI=1S/C23H16FN3O3/c1-14(28)15-6-9-17(10-7-15)26-22(29)16-8-11-18-20(12-16)25-13-27(23(18)30)21-5-3-2-4-19(21)24/h2-13H,1H3,(H,26,29)
InChIKeyHXZLXTBKKYOJIU-UHFFFAOYSA-N
XLogP3.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide
CID 39314350
N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide
CID 39333619
N-(2,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39331968
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 58574227
N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765756
4-N-(4-acetylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092659
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea
CID 162429447
N-[6-(diethylamino)-3-pyridinyl]-3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 112842711
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165
3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-N-[4-(triazol-2-yl)phenyl]-1H-quinazoline-7-carboxamide
CID 112841867
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide (CID 45495109) is N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4F)cnc3c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide?
The InChIKey is HXZLXTBKKYOJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O3/c1-14(28)15-6-9-17(10-7-15)26-22(29)16-8-11-18-20(12-16)25-13-27(23(18)30)21-5-3-2-4-19(21)24/h2-13H,1H3,(H,26,29).
What are the key properties of N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide?
N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 45495109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).