ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate

C14H14ClNO3S — CID 3244639

IUPACethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C14H14ClNO3S/c1-3-19-14(18)8-20-12-7-13(17)16(2)11-6-9(15)4-5-10(11)12/h4-7H,3,8H2,1-2H3
InChIKeyUPYIQSPMXJQISB-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.85
Rot. Bonds4

About ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate

ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate (PubChem CID 3244639) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate
PubChem CID3244639
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Nameethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C14H14ClNO3S/c1-3-19-14(18)8-20-12-7-13(17)16(2)11-6-9(15)4-5-10(11)12/h4-7H,3,8H2,1-2H3
InChIKeyUPYIQSPMXJQISB-UHFFFAOYSA-N
XLogP2.85
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate 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

7-chloro-1-methyl-4-[(2-morpholin-4-yl-2-oxoethyl)thio]quinolin-2(1H)-one
CID 3237837
2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(3-morpholin-4-ylpropyl)acetamide
CID 3245470
2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(2-cyclohex-1-en-1-ylethyl)acetamide
CID 12005016
4-({2-[4-(5-Chloro-2-methylphenyl)piperazino]-2-oxoethyl}sulfanyl)-1-methyl-2(1H)-quinolinone
CID 16002937
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(N-ethylanilino)propyl]acetamide
CID 16020454
7-chloro-1-methyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]quinolin-2(1H)-one
CID 3243344
7-chloro-4-{[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]thio}-1-methylquinolin-2(1H)-one
CID 3244867
Ethyl 2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetate
CID 6621092
2-[(7-Chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 16193654
N-{3-[benzyl(methyl)amino]propyl}-2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 16193661
N-{3-[benzyl(ethyl)amino]propyl}-2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 16193662
2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N,N-diethylacetamide
CID 3705478

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate (CID 3244639) is ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate is CCOC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12.
What is the InChIKey of ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate?
The InChIKey is UPYIQSPMXJQISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-3-19-14(18)8-20-12-7-13(17)16(2)11-6-9(15)4-5-10(11)12/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate?
ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate has a molecular weight of 311.79 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate is sourced from PubChem (CID 3244639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).