N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide

C27H32ClN3O2 — CID 5186912

IUPACN-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(CC)C(=O)CCC1CCCC1
InChIInChI=1S/C27H32ClN3O2/c1-3-24(30(4-2)25(32)17-16-19-10-5-6-11-19)26-29-23-15-8-7-14-22(23)27(33)31(26)21-13-9-12-20(28)18-21/h7-9,12-15,18-19,24H,3-6,10-11,16-17H2,1-2H3
InChIKeyVZVJNUBQWXYFGQ-UHFFFAOYSA-N
MW466.03 g/mol
LogP6.31
Rot. Bonds8

About N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide

N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide (PubChem CID 5186912) has the molecular formula C27H32ClN3O2 and a molecular weight of 466.03 g/mol. Its IUPAC name is N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide
PubChem CID5186912
Molecular FormulaC27H32ClN3O2
Molecular Weight466.03 g/mol
Exact Mass465.22
IUPAC NameN-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(CC)C(=O)CCC1CCCC1
InChIInChI=1S/C27H32ClN3O2/c1-3-24(30(4-2)25(32)17-16-19-10-5-6-11-19)26-29-23-15-8-7-14-22(23)27(33)31(26)21-13-9-12-20(28)18-21/h7-9,12-15,18-19,24H,3-6,10-11,16-17H2,1-2H3
InChIKeyVZVJNUBQWXYFGQ-UHFFFAOYSA-N
XLogP6.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.03
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720354
N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide
CID 42716308
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
CID 42720403
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclopentyl-N-propylpropanamide
CID 42717337
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylbutanamide
CID 42719333
ethyl 4-[ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42719134
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide
CID 42721102
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
2-chloro-N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylacetamide
CID 42721138
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42720398
3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylpropanamide
CID 42720557
3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 4641269

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide?
The IUPAC name of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide (CID 5186912) is N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide.
What is the SMILES notation for N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide?
The canonical SMILES for N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide is CCC(c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(CC)C(=O)CCC1CCCC1.
What is the InChIKey of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide?
The InChIKey is VZVJNUBQWXYFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O2/c1-3-24(30(4-2)25(32)17-16-19-10-5-6-11-19)26-29-23-15-8-7-14-22(23)27(33)31(26)21-13-9-12-20(28)18-21/h7-9,12-15,18-19,24H,3-6,10-11,16-17H2,1-2H3.
What are the key properties of N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide?
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide has a molecular weight of 466.03 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide is sourced from PubChem (CID 5186912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).