2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide

C25H22FN3O3 — CID 71596286

IUPAC2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(C)cc2)ccc2nc(-c3ccc(F)cc3)n(C)c(=O)c12
InChIInChI=1S/C25H22FN3O3/c1-15-4-6-16(7-5-15)14-27-24(30)19-12-13-20-21(22(19)32-3)25(31)29(2)23(28-20)17-8-10-18(26)11-9-17/h4-13H,14H2,1-3H3,(H,27,30)
InChIKeyCKWOOZWIDMAVKB-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.99
Rot. Bonds5

About 2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide

2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide (PubChem CID 71596286) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide
PubChem CID71596286
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(C)cc2)ccc2nc(-c3ccc(F)cc3)n(C)c(=O)c12
InChIInChI=1S/C25H22FN3O3/c1-15-4-6-16(7-5-15)14-27-24(30)19-12-13-20-21(22(19)32-3)25(31)29(2)23(28-20)17-8-10-18(26)11-9-17/h4-13H,14H2,1-3H3,(H,27,30)
InChIKeyCKWOOZWIDMAVKB-UHFFFAOYSA-N
XLogP3.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide 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

5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide
CID 71596288
2,4-dimethoxy-3-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 110763344
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712021
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-1-methyl-6-oxopyrimidine-4-carboxamide
CID 58786841
2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54680245
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
N-[(4-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 4309624
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712036
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-5-[(2-methylpropan-2-yl)oxy]-6-oxopyrimidine-4-carboxamide
CID 142590972
2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22422707
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide (CID 71596286) is 2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide is COc1c(C(=O)NCc2ccc(C)cc2)ccc2nc(-c3ccc(F)cc3)n(C)c(=O)c12.
What is the InChIKey of 2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
The InChIKey is CKWOOZWIDMAVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-15-4-6-16(7-5-15)14-27-24(30)19-12-13-20-21(22(19)32-3)25(31)29(2)23(28-20)17-8-10-18(26)11-9-17/h4-13H,14H2,1-3H3,(H,27,30).
What are the key properties of 2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide is sourced from PubChem (CID 71596286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).