N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide

C24H25ClN2O2 — CID 100696835

IUPACN-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESCN(C(=O)Cc1cc2ccccc2[nH]c1=O)[C@H](c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C24H25ClN2O2/c1-27(23(16-6-2-3-7-16)17-10-12-20(25)13-11-17)22(28)15-19-14-18-8-4-5-9-21(18)26-24(19)29/h4-5,8-14,16,23H,2-3,6-7,15H2,1H3,(H,26,29)/t23-/m0/s1
InChIKeyIJVRFGBKAAPZRO-QHCPKHFHSA-N
MW408.93 g/mol
LogP5.11
Rot. Bonds5

About N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide

N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide (PubChem CID 100696835) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
PubChem CID100696835
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC NameN-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESCN(C(=O)Cc1cc2ccccc2[nH]c1=O)[C@H](c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C24H25ClN2O2/c1-27(23(16-6-2-3-7-16)17-10-12-20(25)13-11-17)22(28)15-19-14-18-8-4-5-9-21(18)26-24(19)29/h4-5,8-14,16,23H,2-3,6-7,15H2,1H3,(H,26,29)/t23-/m0/s1
InChIKeyIJVRFGBKAAPZRO-QHCPKHFHSA-N
XLogP5.11
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide (CID 100696835) is N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide is CN(C(=O)Cc1cc2ccccc2[nH]c1=O)[C@H](c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The InChIKey is IJVRFGBKAAPZRO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-27(23(16-6-2-3-7-16)17-10-12-20(25)13-11-17)22(28)15-19-14-18-8-4-5-9-21(18)26-24(19)29/h4-5,8-14,16,23H,2-3,6-7,15H2,1H3,(H,26,29)/t23-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide?
N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide has a molecular weight of 408.93 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 100696835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).