4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid

C21H15FN2O3 — CID 43000917

IUPAC4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(C2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C21H15FN2O3/c22-15-9-11-16(12-10-15)24-19(13-5-7-14(8-6-13)21(26)27)23-18-4-2-1-3-17(18)20(24)25/h1-12,19,23H,(H,26,27)
InChIKeyRTFDBKIZLRFWKP-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.30
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid

4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid (PubChem CID 43000917) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
PubChem CID43000917
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(C2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C21H15FN2O3/c22-15-9-11-16(12-10-15)24-19(13-5-7-14(8-6-13)21(26)27)23-18-4-2-1-3-17(18)20(24)25/h1-12,19,23H,(H,26,27)
InChIKeyRTFDBKIZLRFWKP-UHFFFAOYSA-N
XLogP4.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 712104
4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9006940
(2R)-3-(4-fluorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9007353
2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687415
4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 17409789
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
(2R)-3-(4-fluorophenyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007316
(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 804192
N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064100

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The IUPAC name of 4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid (CID 43000917) is 4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The canonical SMILES for 4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid is O=C(O)c1ccc(C2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The InChIKey is RTFDBKIZLRFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c22-15-9-11-16(12-10-15)24-19(13-5-7-14(8-6-13)21(26)27)23-18-4-2-1-3-17(18)20(24)25/h1-12,19,23H,(H,26,27).
What are the key properties of 4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid has a molecular weight of 362.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid is sourced from PubChem (CID 43000917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).