4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide

C29H30ClN3O2 — CID 42715740

IUPAC4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
SMILESCCCCCCN(C(=O)c1ccc(Cl)cc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H30ClN3O2/c1-3-4-5-11-20-32(28(34)22-16-18-23(30)19-17-22)21(2)27-31-26-15-10-9-14-25(26)29(35)33(27)24-12-7-6-8-13-24/h6-10,12-19,21H,3-5,11,20H2,1-2H3
InChIKeyQYSIFWZRFXNPDM-UHFFFAOYSA-N
MW488.03 g/mol
LogP6.82
Rot. Bonds9

About 4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide

4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide (PubChem CID 42715740) has the molecular formula C29H30ClN3O2 and a molecular weight of 488.03 g/mol. Its IUPAC name is 4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
PubChem CID42715740
Molecular FormulaC29H30ClN3O2
Molecular Weight488.03 g/mol
Exact Mass487.20
IUPAC Name4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
SMILESCCCCCCN(C(=O)c1ccc(Cl)cc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H30ClN3O2/c1-3-4-5-11-20-32(28(34)22-16-18-23(30)19-17-22)21(2)27-31-26-15-10-9-14-25(26)29(35)33(27)24-12-7-6-8-13-24/h6-10,12-19,21H,3-5,11,20H2,1-2H3
InChIKeyQYSIFWZRFXNPDM-UHFFFAOYSA-N
XLogP6.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide 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

4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42721424
4-chloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 4032184
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42718076
4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 42657450
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
4-chloro-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42718880
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclobutanecarboxamide
CID 42715589
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-butylbenzamide
CID 42715950
2,4-dichloro-N-hexyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 5197120
4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
CID 42727890
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 3396625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide (CID 42715740) is 4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide is CCCCCCN(C(=O)c1ccc(Cl)cc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
The InChIKey is QYSIFWZRFXNPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O2/c1-3-4-5-11-20-32(28(34)22-16-18-23(30)19-17-22)21(2)27-31-26-15-10-9-14-25(26)29(35)33(27)24-12-7-6-8-13-24/h6-10,12-19,21H,3-5,11,20H2,1-2H3.
What are the key properties of 4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide has a molecular weight of 488.03 g/mol, XLogP of 6.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 42715740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).