4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide

C31H27N3O2 — CID 167956083

IUPAC4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide
SMILESCc1nc2ccccc2c(=O)n1CCCC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H27N3O2/c1-22-32-29-15-8-6-13-27(29)31(36)34(22)21-9-16-30(35)33-28-14-7-5-12-26(28)25-19-17-24(18-20-25)23-10-3-2-4-11-23/h2-8,10-15,17-20H,9,16,21H2,1H3,(H,33,35)
InChIKeyXAFPCDFRXICJLQ-UHFFFAOYSA-N
MW473.58 g/mol
LogP6.46
Rot. Bonds7

About 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide

4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide (PubChem CID 167956083) has the molecular formula C31H27N3O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide
PubChem CID167956083
Molecular FormulaC31H27N3O2
Molecular Weight473.58 g/mol
Exact Mass473.21
IUPAC Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide
SMILESCc1nc2ccccc2c(=O)n1CCCC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H27N3O2/c1-22-32-29-15-8-6-13-27(29)31(36)34(22)21-9-16-30(35)33-28-14-7-5-12-26(28)25-19-17-24(18-20-25)23-10-3-2-4-11-23/h2-8,10-15,17-20H,9,16,21H2,1H3,(H,33,35)
InChIKeyXAFPCDFRXICJLQ-UHFFFAOYSA-N
XLogP6.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
CID 54672499
methyl 8-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoylamino]octanoate
CID 71851736
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide
CID 46970883
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 16531355
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
CID 37020742
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide
CID 157017533
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
N-(2-methyl-4-oxoquinazolin-3-yl)hexanamide
CID 5090042

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide?
The IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide (CID 167956083) is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide.
What is the SMILES notation for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide?
The canonical SMILES for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide is Cc1nc2ccccc2c(=O)n1CCCC(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide?
The InChIKey is XAFPCDFRXICJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O2/c1-22-32-29-15-8-6-13-27(29)31(36)34(22)21-9-16-30(35)33-28-14-7-5-12-26(28)25-19-17-24(18-20-25)23-10-3-2-4-11-23/h2-8,10-15,17-20H,9,16,21H2,1H3,(H,33,35).
What are the key properties of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide?
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide has a molecular weight of 473.58 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide is sourced from PubChem (CID 167956083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).