2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide

C32H36ClN3O2 — CID 4029648

IUPAC2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
SMILESCCCCCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C32H36ClN3O2/c1-4-7-8-13-22-35(31(37)25-14-9-11-16-27(25)33)29(6-3)30-34-28-17-12-10-15-26(28)32(38)36(30)24-20-18-23(5-2)19-21-24/h9-12,14-21,29H,4-8,13,22H2,1-3H3
InChIKeyVOHJFWILLUNULO-UHFFFAOYSA-N
MW530.11 g/mol
LogP7.78
Rot. Bonds11

About 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide

2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide (PubChem CID 4029648) has the molecular formula C32H36ClN3O2 and a molecular weight of 530.11 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
PubChem CID4029648
Molecular FormulaC32H36ClN3O2
Molecular Weight530.11 g/mol
Exact Mass529.25
IUPAC Name2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
SMILESCCCCCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
InChIInChI=1S/C32H36ClN3O2/c1-4-7-8-13-22-35(31(37)25-14-9-11-16-27(25)33)29(6-3)30-34-28-17-12-10-15-26(28)32(38)36(30)24-20-18-23(5-2)19-21-24/h9-12,14-21,29H,4-8,13,22H2,1-3H3
InChIKeyVOHJFWILLUNULO-UHFFFAOYSA-N
XLogP7.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.11
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide 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

2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 3396625
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894
2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
CID 42717679
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2-methylbenzamide
CID 42718906
N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide
CID 4545425
N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716311
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42722668
N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide
CID 5223620
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871
N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42722686
2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4018495

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide?
The IUPAC name of 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide (CID 4029648) is 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide?
The canonical SMILES for 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide is CCCCCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1.
What is the InChIKey of 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide?
The InChIKey is VOHJFWILLUNULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O2/c1-4-7-8-13-22-35(31(37)25-14-9-11-16-27(25)33)29(6-3)30-34-28-17-12-10-15-26(28)32(38)36(30)24-20-18-23(5-2)19-21-24/h9-12,14-21,29H,4-8,13,22H2,1-3H3.
What are the key properties of 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide?
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide has a molecular weight of 530.11 g/mol, XLogP of 7.78, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide is sourced from PubChem (CID 4029648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).