2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

C19H24ClN3O2S — CID 3244551

IUPAC2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C19H24ClN3O2S/c1-3-23-8-4-5-14(23)11-21-18(24)12-26-17-10-19(25)22(2)16-9-13(20)6-7-15(16)17/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,21,24)
InChIKeyNUYPOACQZPSOOZ-UHFFFAOYSA-N
MW393.94 g/mol
LogP2.88
Rot. Bonds6

About 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 3244551) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
PubChem CID3244551
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C19H24ClN3O2S/c1-3-23-8-4-5-14(23)11-21-18(24)12-26-17-10-19(25)22(2)16-9-13(20)6-7-15(16)17/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,21,24)
InChIKeyNUYPOACQZPSOOZ-UHFFFAOYSA-N
XLogP2.88
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[[2-[(3S)-3-aminopyrrolidin-1-yl]-4-chlorophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 58423319
2-[(5-Chloro-2-methyl-phenyl)-methanesulfonyl-amino]-N-cyclohexyl-acetamide
CID 647018
2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide
CID 1214278
N~1~-{2-[(4-chlorobenzyl)thio]ethyl}-N~2~-[(dimethylamino)sulfonyl]-N~2~-phenylglycinamide
CID 2975928
7-chloro-1-methyl-4-[(2-morpholin-4-yl-2-oxoethyl)thio]quinolin-2(1H)-one
CID 3237837
N-butyl-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 3240307
6-chloro-1-methyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]quinolin-2(1H)-one
CID 3243987
2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(3-morpholin-4-ylpropyl)acetamide
CID 3245470
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 3245601
2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(2-cyclohex-1-en-1-ylethyl)acetamide
CID 12005016
2-[(6-Chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-[2-(cyclohex-1-EN-1-YL)ethyl]acetamide
CID 12005028
4-({2-[4-(5-Chloro-2-methylphenyl)piperazino]-2-oxoethyl}sulfanyl)-1-methyl-2(1H)-quinolinone
CID 16002937

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (CID 3244551) is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is CCN1CCCC1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12.
What is the InChIKey of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is NUYPOACQZPSOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-3-23-8-4-5-14(23)11-21-18(24)12-26-17-10-19(25)22(2)16-9-13(20)6-7-15(16)17/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 393.94 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 3244551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).