7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one

C16H17ClN2O3S — CID 3237837

IUPAC7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one
SMILESCn1c(=O)cc(SCC(=O)N2CCOCC2)c2ccc(Cl)cc21
InChIInChI=1S/C16H17ClN2O3S/c1-18-13-8-11(17)2-3-12(13)14(9-15(18)20)23-10-16(21)19-4-6-22-7-5-19/h2-3,8-9H,4-7,10H2,1H3
InChIKeyASNLQSVUCAHFPW-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.14
Rot. Bonds3

About 7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one

7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one (PubChem CID 3237837) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one.

Molecular Properties

Compound Name7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one
PubChem CID3237837
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one
SMILESCn1c(=O)cc(SCC(=O)N2CCOCC2)c2ccc(Cl)cc21
InChIInChI=1S/C16H17ClN2O3S/c1-18-13-8-11(17)2-3-12(13)14(9-15(18)20)23-10-16(21)19-4-6-22-7-5-19/h2-3,8-9H,4-7,10H2,1H3
InChIKeyASNLQSVUCAHFPW-UHFFFAOYSA-N
XLogP2.14
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-morpholin-4-ylphenyl)-2-{[N-(4-methylphenyl)carbamoyl]methylthio}acetamide
CID 3656225
1-ethyl-4-[(2-oxo-2-piperidin-1-ylethyl)thio]quinolin-2(1H)-one
CID 3240943
6-chloro-1-methyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]quinolin-2(1H)-one
CID 3243987
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 3244551
Ethyl 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetate
CID 3244639
2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(3-morpholin-4-ylpropyl)acetamide
CID 3245470
1-[4-(5-Chloro-2-methylphenyl)piperazin-1-YL]-3-{[(2-fluorophenyl)methyl]sulfanyl}propan-1-one
CID 4987741
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-ethyl-3-methylanilino)propyl]acetamide
CID 16020452
N-[(4-Chlorophenyl)methyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetamide
CID 16034492
N-[2-(4-Chlorophenyl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetamide
CID 16008582

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one?
The IUPAC name of 7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one (CID 3237837) is 7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one.
What is the SMILES notation for 7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one?
The canonical SMILES for 7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one is Cn1c(=O)cc(SCC(=O)N2CCOCC2)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one?
The InChIKey is ASNLQSVUCAHFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-18-13-8-11(17)2-3-12(13)14(9-15(18)20)23-10-16(21)19-4-6-22-7-5-19/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one?
7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one has a molecular weight of 352.84 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinolin-2-one is sourced from PubChem (CID 3237837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).