N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide

C27H32ClN3O2 — CID 42720403

IUPACN-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
SMILESCCCCN(C(=O)C1CCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C27H32ClN3O2/c1-3-5-17-30(26(32)19-11-6-7-12-19)24(4-2)25-29-23-16-9-8-15-22(23)27(33)31(25)21-14-10-13-20(28)18-21/h8-10,13-16,18-19,24H,3-7,11-12,17H2,1-2H3
InChIKeyPKQXQUBXKLYGHJ-UHFFFAOYSA-N
MW466.03 g/mol
LogP6.31
Rot. Bonds8

About N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide

N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide (PubChem CID 42720403) has the molecular formula C27H32ClN3O2 and a molecular weight of 466.03 g/mol. Its IUPAC name is N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
PubChem CID42720403
Molecular FormulaC27H32ClN3O2
Molecular Weight466.03 g/mol
Exact Mass465.22
IUPAC NameN-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide
SMILESCCCCN(C(=O)C1CCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C27H32ClN3O2/c1-3-5-17-30(26(32)19-11-6-7-12-19)24(4-2)25-29-23-16-9-8-15-22(23)27(33)31(25)21-14-10-13-20(28)18-21/h8-10,13-16,18-19,24H,3-7,11-12,17H2,1-2H3
InChIKeyPKQXQUBXKLYGHJ-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-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
CID 3361299
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42720398
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide
CID 42719848
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 42721247
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclopentyl-N-ethylpropanamide
CID 5186912
N-butyl-N-[(1S)-1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methoxybenzamide
CID 92514732
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 42721216
N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide
CID 42716308
N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide
CID 42711907
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylcyclobutanecarboxamide
CID 42715589

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide?
The IUPAC name of N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide (CID 42720403) is N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide is CCCCN(C(=O)C1CCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide?
The InChIKey is PKQXQUBXKLYGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O2/c1-3-5-17-30(26(32)19-11-6-7-12-19)24(4-2)25-29-23-16-9-8-15-22(23)27(33)31(25)21-14-10-13-20(28)18-21/h8-10,13-16,18-19,24H,3-7,11-12,17H2,1-2H3.
What are the key properties of N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide?
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide 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-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 42720403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).