N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide

C31H33N3O3 — CID 42723693

IUPACN-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
SMILESCOc1ccc(C)cc1-n1c(C(C)N(Cc2ccccc2)C(=O)C2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C31H33N3O3/c1-21-17-18-28(37-3)27(19-21)34-29(32-26-16-10-9-15-25(26)31(34)36)22(2)33(20-23-11-5-4-6-12-23)30(35)24-13-7-8-14-24/h4-6,9-12,15-19,22,24H,7-8,13-14,20H2,1-3H3
InChIKeyPRTOATFSFJFMBJ-UHFFFAOYSA-N
MW495.62 g/mol
LogP5.98
Rot. Bonds7

About N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide

N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide (PubChem CID 42723693) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
PubChem CID42723693
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC NameN-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
SMILESCOc1ccc(C)cc1-n1c(C(C)N(Cc2ccccc2)C(=O)C2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C31H33N3O3/c1-21-17-18-28(37-3)27(19-21)34-29(32-26-16-10-9-15-25(26)31(34)36)22(2)33(20-23-11-5-4-6-12-23)30(35)24-13-7-8-14-24/h4-6,9-12,15-19,22,24H,7-8,13-14,20H2,1-3H3
InChIKeyPRTOATFSFJFMBJ-UHFFFAOYSA-N
XLogP5.98
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide 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-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42720586
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 42720583
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclobutanecarboxamide
CID 42720609
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42723566
N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42720989
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42723568
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide
CID 5225391
N-butyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclobutanecarboxamide
CID 42720633
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methylbutanamide
CID 42723592
2-chloro-N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42723571
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide
CID 42723641
N-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42719994

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide (CID 42723693) is N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide is COc1ccc(C)cc1-n1c(C(C)N(Cc2ccccc2)C(=O)C2CCCC2)nc2ccccc2c1=O.
What is the InChIKey of N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is PRTOATFSFJFMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c1-21-17-18-28(37-3)27(19-21)34-29(32-26-16-10-9-15-25(26)31(34)36)22(2)33(20-23-11-5-4-6-12-23)30(35)24-13-7-8-14-24/h4-6,9-12,15-19,22,24H,7-8,13-14,20H2,1-3H3.
What are the key properties of N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide?
N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 495.62 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 42723693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).