2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide

C22H21ClN2O2S — CID 1214278

IUPAC2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O)NC1CCCC1
InChIInChI=1S/C22H21ClN2O2S/c23-15-10-11-18-17(12-15)20(14-6-2-1-3-7-14)21(22(27)25-18)28-13-19(26)24-16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,24,26)(H,25,27)
InChIKeyVRXUFERDKQBCLY-UHFFFAOYSA-N
MW412.94 g/mol
LogP5.00
Rot. Bonds5

About 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide

2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide (PubChem CID 1214278) has the molecular formula C22H21ClN2O2S and a molecular weight of 412.94 g/mol. Its IUPAC name is 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide
PubChem CID1214278
Molecular FormulaC22H21ClN2O2S
Molecular Weight412.94 g/mol
Exact Mass412.10
IUPAC Name2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O)NC1CCCC1
InChIInChI=1S/C22H21ClN2O2S/c23-15-10-11-18-17(12-15)20(14-6-2-1-3-7-14)21(22(27)25-18)28-13-19(26)24-16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,24,26)(H,25,27)
InChIKeyVRXUFERDKQBCLY-UHFFFAOYSA-N
XLogP5.00
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide (CID 1214278) is 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide is O=C(CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O)NC1CCCC1.
What is the InChIKey of 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide?
The InChIKey is VRXUFERDKQBCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2S/c23-15-10-11-18-17(12-15)20(14-6-2-1-3-7-14)21(22(27)25-18)28-13-19(26)24-16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,24,26)(H,25,27).
What are the key properties of 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide?
2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide has a molecular weight of 412.94 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 1214278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).