N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide

C29H24ClN3O3 — CID 42720138

IUPACN-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide
SMILESCc1ccc(-n2c(C(C)N(Cc3ccccc3)C(=O)c3ccco3)nc3cc(Cl)ccc3c2=O)cc1
InChIInChI=1S/C29H24ClN3O3/c1-19-10-13-23(14-11-19)33-27(31-25-17-22(30)12-15-24(25)28(33)34)20(2)32(18-21-7-4-3-5-8-21)29(35)26-9-6-16-36-26/h3-17,20H,18H2,1-2H3
InChIKeyJCRQPJVUMQIWER-UHFFFAOYSA-N
MW497.98 g/mol
LogP6.34
Rot. Bonds6

About N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide

N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide (PubChem CID 42720138) has the molecular formula C29H24ClN3O3 and a molecular weight of 497.98 g/mol. Its IUPAC name is N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide
PubChem CID42720138
Molecular FormulaC29H24ClN3O3
Molecular Weight497.98 g/mol
Exact Mass497.15
IUPAC NameN-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide
SMILESCc1ccc(-n2c(C(C)N(Cc3ccccc3)C(=O)c3ccco3)nc3cc(Cl)ccc3c2=O)cc1
InChIInChI=1S/C29H24ClN3O3/c1-19-10-13-23(14-11-19)33-27(31-25-17-22(30)12-15-24(25)28(33)34)20(2)32(18-21-7-4-3-5-8-21)29(35)26-9-6-16-36-26/h3-17,20H,18H2,1-2H3
InChIKeyJCRQPJVUMQIWER-UHFFFAOYSA-N
XLogP6.34
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.98
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-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

N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-1-carboxamide
CID 42720060
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)-3-methoxybenzamide
CID 42720133
2-chloro-N-[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylacetamide
CID 1060367
N-benzyl-N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenylpropanamide
CID 4237353
1-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2,6-dimethylphenyl)-1-(2-phenylethyl)urea
CID 42720149
2-chloro-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)acetamide
CID 5108411
N-benzyl-2,4-dichloro-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 4560753
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenoxyacetamide
CID 42657601
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N,2-dimethylpropanamide
CID 42720050
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-propylbutanamide
CID 42720107
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylfuran-2-carboxamide
CID 42719459
1-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
CID 3536960

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide (CID 42720138) is N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide is Cc1ccc(-n2c(C(C)N(Cc3ccccc3)C(=O)c3ccco3)nc3cc(Cl)ccc3c2=O)cc1.
What is the InChIKey of N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is JCRQPJVUMQIWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O3/c1-19-10-13-23(14-11-19)33-27(31-25-17-22(30)12-15-24(25)28(33)34)20(2)32(18-21-7-4-3-5-8-21)29(35)26-9-6-16-36-26/h3-17,20H,18H2,1-2H3.
What are the key properties of N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide?
N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 497.98 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42720138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).