N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide

C28H35N3O2 — CID 3361299

IUPACN-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
SMILESCCCN(C(=O)C1CCCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C28H35N3O2/c1-4-18-30(27(32)21-13-7-6-8-14-21)25(5-2)26-29-24-17-10-9-16-23(24)28(33)31(26)22-15-11-12-20(3)19-22/h9-12,15-17,19,21,25H,4-8,13-14,18H2,1-3H3
InChIKeyKLWZCKXAAXLTID-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.96
Rot. Bonds7

About N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide

N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide (PubChem CID 3361299) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
PubChem CID3361299
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC NameN-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
SMILESCCCN(C(=O)C1CCCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C28H35N3O2/c1-4-18-30(27(32)21-13-7-6-8-14-21)25(5-2)26-29-24-17-10-9-16-23(24)28(33)31(26)22-15-11-12-20(3)19-22/h9-12,15-17,19,21,25H,4-8,13-14,18H2,1-3H3
InChIKeyKLWZCKXAAXLTID-UHFFFAOYSA-N
XLogP5.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide 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-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
CID 42720403
N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide
CID 42711907
1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
CID 42718648
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720354
N-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide
CID 42719848
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 42722697
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42719339
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide
CID 42719818
2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4029276
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide
CID 42722929
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 42721216

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide?
The IUPAC name of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide (CID 3361299) is N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide.
What is the SMILES notation for N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide?
The canonical SMILES for N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide is CCCN(C(=O)C1CCCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1.
What is the InChIKey of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide?
The InChIKey is KLWZCKXAAXLTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-4-18-30(27(32)21-13-7-6-8-14-21)25(5-2)26-29-24-17-10-9-16-23(24)28(33)31(26)22-15-11-12-20(3)19-22/h9-12,15-17,19,21,25H,4-8,13-14,18H2,1-3H3.
What are the key properties of N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide?
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide has a molecular weight of 445.61 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide is sourced from PubChem (CID 3361299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).