2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide

C24H28ClN3O2 — CID 42717679

IUPAC2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
SMILESCCCCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C24H28ClN3O2/c1-4-6-11-16-28(24(30)17-12-7-9-14-19(17)25)21(5-2)22-26-20-15-10-8-13-18(20)23(29)27(22)3/h7-10,12-15,21H,4-6,11,16H2,1-3H3
InChIKeyRHFMUFGORJZPAA-UHFFFAOYSA-N
MW425.96 g/mol
LogP5.37
Rot. Bonds8

About 2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide

2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide (PubChem CID 42717679) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
PubChem CID42717679
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
SMILESCCCCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C24H28ClN3O2/c1-4-6-11-16-28(24(30)17-12-7-9-14-19(17)25)21(5-2)22-26-20-15-10-8-13-18(20)23(29)27(22)3/h7-10,12-15,21H,4-6,11,16H2,1-3H3
InChIKeyRHFMUFGORJZPAA-UHFFFAOYSA-N
XLogP5.37
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 4029648
2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42711898
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide
CID 42711941
2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42714610
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716311
2,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723385
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 3396625
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide?
The IUPAC name of 2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide (CID 42717679) is 2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide is CCCCCN(C(=O)c1ccccc1Cl)C(CC)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide?
The InChIKey is RHFMUFGORJZPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-4-6-11-16-28(24(30)17-12-7-9-14-19(17)25)21(5-2)22-26-20-15-10-8-13-18(20)23(29)27(22)3/h7-10,12-15,21H,4-6,11,16H2,1-3H3.
What are the key properties of 2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide?
2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide has a molecular weight of 425.96 g/mol, XLogP of 5.37, 8 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-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide is sourced from PubChem (CID 42717679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).