4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide

C22H23N3O3 — CID 135877052

IUPAC4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C22H23N3O3/c1-14-8-9-15(2)17(12-14)19(26)10-11-21(27)25(3)13-20-23-18-7-5-4-6-16(18)22(28)24-20/h4-9,12H,10-11,13H2,1-3H3,(H,23,24,28)
InChIKeyLPAVZTMFCLKRFR-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.16
Rot. Bonds6

About 4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide

4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide (PubChem CID 135877052) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
PubChem CID135877052
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C22H23N3O3/c1-14-8-9-15(2)17(12-14)19(26)10-11-21(27)25(3)13-20-23-18-7-5-4-6-16(18)22(28)24-20/h4-9,12H,10-11,13H2,1-3H3,(H,23,24,28)
InChIKeyLPAVZTMFCLKRFR-UHFFFAOYSA-N
XLogP3.16
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide 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

4-(2,5-dimethylphenyl)-N-ethyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135821079
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
4-methyl-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135903821
N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide
CID 135971119
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
4-(4-chloro-3-methylphenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135877048
2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135888215
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137288392
(3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135877147
N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135570319
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 135690330

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide (CID 135877052) is 4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide is Cc1ccc(C)c(C(=O)CCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
The InChIKey is LPAVZTMFCLKRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-8-9-15(2)17(12-14)19(26)10-11-21(27)25(3)13-20-23-18-7-5-4-6-16(18)22(28)24-20/h4-9,12H,10-11,13H2,1-3H3,(H,23,24,28).
What are the key properties of 4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide?
4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide has a molecular weight of 377.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide is sourced from PubChem (CID 135877052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).