2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide

C15H15ClN2O2S — CID 20856556

IUPAC2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide
SMILESCn1c(=O)cc(SCC(=O)NC2CC2)c2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN2O2S/c1-18-12-6-9(16)2-5-11(12)13(7-15(18)20)21-8-14(19)17-10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H,17,19)
InChIKeyNKZGNVJRWQRLHE-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.56
Rot. Bonds4

About 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide (PubChem CID 20856556) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide
PubChem CID20856556
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide
SMILESCn1c(=O)cc(SCC(=O)NC2CC2)c2ccc(Cl)cc21
InChIInChI=1S/C15H15ClN2O2S/c1-18-12-6-9(16)2-5-11(12)13(7-15(18)20)21-8-14(19)17-10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H,17,19)
InChIKeyNKZGNVJRWQRLHE-UHFFFAOYSA-N
XLogP2.56
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 812203
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CID 666797
CID 666797
CID 3237837
CID 3237837
CID 3240307
CID 3240307
CID 3244551
CID 3244551
CID 3244639
CID 3244639
CID 3245470
CID 3245470
CID 12005016
CID 12005016
CID 12005028
CID 12005028
CID 12005162
CID 12005162
CID 16002937
CID 16002937
CID 16020452
CID 16020452

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide (CID 20856556) is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide is Cn1c(=O)cc(SCC(=O)NC2CC2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide?
The InChIKey is NKZGNVJRWQRLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-18-12-6-9(16)2-5-11(12)13(7-15(18)20)21-8-14(19)17-10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H,17,19).
What are the key properties of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide?
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide has a molecular weight of 322.82 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 20856556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).