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

C24H25ClN2O2 — CID 4279408

IUPAC1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1ccc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C24H25ClN2O2/c1-16-4-5-17-15-18(22(28)27-21(17)14-16)10-13-26-23(29)24(11-2-3-12-24)19-6-8-20(25)9-7-19/h4-9,14-15H,2-3,10-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyCRDXUNKEHJCTFA-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.66
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 4279408) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID4279408
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1ccc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C24H25ClN2O2/c1-16-4-5-17-15-18(22(28)27-21(17)14-16)10-13-26-23(29)24(11-2-3-12-24)19-6-8-20(25)9-7-19/h4-9,14-15H,2-3,10-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyCRDXUNKEHJCTFA-UHFFFAOYSA-N
XLogP4.66
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

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N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide (CID 4279408) is 1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide is Cc1ccc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is CRDXUNKEHJCTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-16-4-5-17-15-18(22(28)27-21(17)14-16)10-13-26-23(29)24(11-2-3-12-24)19-6-8-20(25)9-7-19/h4-9,14-15H,2-3,10-13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 4.66, 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-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 4279408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).