3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide

C25H25N3O3 — CID 4319482

IUPAC3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
SMILESCc1ccc(CNC(=O)C2(O)c3ccccc3NC(=O)N2c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C25H25N3O3/c1-16-8-11-19(12-9-16)15-26-23(29)25(31)21-6-4-5-7-22(21)27-24(30)28(25)20-13-10-17(2)18(3)14-20/h4-14,31H,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyWSSILZAHBFRYEZ-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.13
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide

3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 4319482) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID4319482
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
SMILESCc1ccc(CNC(=O)C2(O)c3ccccc3NC(=O)N2c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C25H25N3O3/c1-16-8-11-19(12-9-16)15-26-23(29)25(31)21-6-4-5-7-22(21)27-24(30)28(25)20-13-10-17(2)18(3)14-20/h4-14,31H,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyWSSILZAHBFRYEZ-UHFFFAOYSA-N
XLogP4.13
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-difluorophenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 4319321
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 131841981
N-[3-(4-benzylpiperazin-1-yl)propyl]-6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 46504566
3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide
CID 3549664
(4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 92653839
N-benzyl-1-(3,4-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 20909507
N-benzyl-2-tert-butyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50757166
6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 5203878
1-(3,4-dimethylphenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxopiperazine-2-carboxamide
CID 20909528
ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745096
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
3-(3,4-dichlorophenyl)-4-hydroxy-4-(pyrrolidine-1-carbonyl)-1H-quinazolin-2-one
CID 4277346

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide (CID 4319482) is 3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide is Cc1ccc(CNC(=O)C2(O)c3ccccc3NC(=O)N2c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is WSSILZAHBFRYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16-8-11-19(12-9-16)15-26-23(29)25(31)21-6-4-5-7-22(21)27-24(30)28(25)20-13-10-17(2)18(3)14-20/h4-14,31H,15H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide?
3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 4319482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).