3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide

C24H21N3O4 — CID 39334024

IUPAC3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(=O)n(-c4cccc(OC)c4)cnc3c2)cc1
InChIInChI=1S/C24H21N3O4/c1-30-19-9-6-16(7-10-19)14-25-23(28)17-8-11-21-22(12-17)26-15-27(24(21)29)18-4-3-5-20(13-18)31-2/h3-13,15H,14H2,1-2H3,(H,25,28)
InChIKeyGAJNBKGFWHUDQS-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.33
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide

3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide (PubChem CID 39334024) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
PubChem CID39334024
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(=O)n(-c4cccc(OC)c4)cnc3c2)cc1
InChIInChI=1S/C24H21N3O4/c1-30-19-9-6-16(7-10-19)14-25-23(28)17-8-11-21-22(12-17)26-15-27(24(21)29)18-4-3-5-20(13-18)31-2/h3-13,15H,14H2,1-2H3,(H,25,28)
InChIKeyGAJNBKGFWHUDQS-UHFFFAOYSA-N
XLogP3.33
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-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

3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39340542
N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39313240
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 39314202
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 39048130
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 45491897
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide
CID 39039907
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052299
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 7772353

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide (CID 39334024) is 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide is COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4cccc(OC)c4)cnc3c2)cc1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide?
The InChIKey is GAJNBKGFWHUDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-19-9-6-16(7-10-19)14-25-23(28)17-8-11-21-22(12-17)26-15-27(24(21)29)18-4-3-5-20(13-18)31-2/h3-13,15H,14H2,1-2H3,(H,25,28).
What are the key properties of 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide?
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 39334024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).