N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

C32H29N3O2 — CID 42719081

IUPACN-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCc1cccc(-n2c(C(C)N(Cc3ccccc3)C(=O)c3ccccc3C)nc3ccccc3c2=O)c1
InChIInChI=1S/C32H29N3O2/c1-22-12-11-16-26(20-22)35-30(33-29-19-10-9-18-28(29)32(35)37)24(3)34(21-25-14-5-4-6-15-25)31(36)27-17-8-7-13-23(27)2/h4-20,24H,21H2,1-3H3
InChIKeyDAGQEBJKTVWKRS-UHFFFAOYSA-N
MW487.60 g/mol
LogP6.41
Rot. Bonds6

About N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 42719081) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
PubChem CID42719081
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC NameN-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCc1cccc(-n2c(C(C)N(Cc3ccccc3)C(=O)c3ccccc3C)nc3ccccc3c2=O)c1
InChIInChI=1S/C32H29N3O2/c1-22-12-11-16-26(20-22)35-30(33-29-19-10-9-18-28(29)32(35)37)24(3)34(21-25-14-5-4-6-15-25)31(36)27-17-8-7-13-23(27)2/h4-20,24H,21H2,1-3H3
InChIKeyDAGQEBJKTVWKRS-UHFFFAOYSA-N
XLogP6.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-methyl-N-(2-phenylethyl)benzamide
CID 3629448
N-[2-(dimethylamino)ethyl]-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657555
N-benzyl-N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
CID 42715988
2-fluoro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42719027
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)butanamide
CID 42719085
2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide
CID 42718469
4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719036
1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42718679
3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42718299
2,2-dichloro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42718464
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)heptanamide
CID 42719093
N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide
CID 42721898

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 42719081) is N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is Cc1cccc(-n2c(C(C)N(Cc3ccccc3)C(=O)c3ccccc3C)nc3ccccc3c2=O)c1.
What is the InChIKey of N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The InChIKey is DAGQEBJKTVWKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-22-12-11-16-26(20-22)35-30(33-29-19-10-9-18-28(29)32(35)37)24(3)34(21-25-14-5-4-6-15-25)31(36)27-17-8-7-13-23(27)2/h4-20,24H,21H2,1-3H3.
What are the key properties of N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 487.60 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 42719081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).