1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide

C25H27ClN2O2 — CID 4178721

IUPAC1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1cc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C25H27ClN2O2/c1-16-13-19-15-18(23(29)28-22(19)14-17(16)2)9-12-27-24(30)25(10-3-4-11-25)20-5-7-21(26)8-6-20/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyXSSXXYXXKNCIQE-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.97
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 4178721) has the molecular formula C25H27ClN2O2 and a molecular weight of 422.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID4178721
Molecular FormulaC25H27ClN2O2
Molecular Weight422.96 g/mol
Exact Mass422.18
IUPAC Name1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1cc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C25H27ClN2O2/c1-16-13-19-15-18(23(29)28-22(19)14-17(16)2)9-12-27-24(30)25(10-3-4-11-25)20-5-7-21(26)8-6-20/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyXSSXXYXXKNCIQE-UHFFFAOYSA-N
XLogP4.97
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 4279408
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N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentanecarboxamide
CID 4091360
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N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119548194
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
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1-(4-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 69262751
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide (CID 4178721) is 1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide is Cc1cc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2cc1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is XSSXXYXXKNCIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O2/c1-16-13-19-15-18(23(29)28-22(19)14-17(16)2)9-12-27-24(30)25(10-3-4-11-25)20-5-7-21(26)8-6-20/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 422.96 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 4178721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).