7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one

C16H12ClNO4S — CID 22425128

IUPAC7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one
SMILESCOc1cccc(S(=O)(=O)c2c[nH]c3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C16H12ClNO4S/c1-22-11-3-2-4-12(8-11)23(20,21)15-9-18-14-7-10(17)5-6-13(14)16(15)19/h2-9H,1H3,(H,18,19)
InChIKeyDLVFUWYNNRPXPH-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.02
Rot. Bonds3

About 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one

7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one (PubChem CID 22425128) has the molecular formula C16H12ClNO4S and a molecular weight of 349.80 g/mol. Its IUPAC name is 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one
PubChem CID22425128
Molecular FormulaC16H12ClNO4S
Molecular Weight349.80 g/mol
Exact Mass349.02
IUPAC Name7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one
SMILESCOc1cccc(S(=O)(=O)c2c[nH]c3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C16H12ClNO4S/c1-22-11-3-2-4-12(8-11)23(20,21)15-9-18-14-7-10(17)5-6-13(14)16(15)19/h2-9H,1H3,(H,18,19)
InChIKeyDLVFUWYNNRPXPH-UHFFFAOYSA-N
XLogP3.02
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)sulfonyl]-6-methoxyquinolin-4(1H)-one
CID 9551540
6-Chloro-2-{[(4-methoxyphenyl)sulfanyl]methyl}-1,4-dihydroquinolin-4-one
CID 16030402
3-(4-Chlorobenzenesulfonyl)-1-ethyl-6-methoxy-1,4-dihydroquinolin-4-one
CID 20874610
3-[(4-ethoxyphenyl)sulfonyl]quinolin-4(1H)-one
CID 16009072
2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137970
3-[(4-chlorophenyl)sulfonyl]-6-ethoxyquinolin-4(1H)-one
CID 2144885
3-[(4-ethoxyphenyl)sulfonyl]-6-methylquinolin-4(1H)-one
CID 18560078
3-(4-Chlorobenzenesulfonyl)-6-methoxy-1-propyl-1,4-dihydroquinolin-4-one
CID 20874614
3-(3-Fluoro-4-methylbenzenesulfonyl)-6-methoxy-1,4-dihydroquinolin-4-one
CID 22425160
3-((4-chlorophenyl)sulfonyl)-6-methoxy-1-methylquinolin-4(1H)-one
CID 16009709
3-(4-Chlorophenyl)sulfonyl-6-fluoro-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 2137283
7-Fluoro-3-(4-methoxybenzenesulfonyl)-1,4-dihydroquinolin-4-one
CID 22425106

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The IUPAC name of 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one (CID 22425128) is 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one is COc1cccc(S(=O)(=O)c2c[nH]c3cc(Cl)ccc3c2=O)c1.
What is the InChIKey of 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The InChIKey is DLVFUWYNNRPXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4S/c1-22-11-3-2-4-12(8-11)23(20,21)15-9-18-14-7-10(17)5-6-13(14)16(15)19/h2-9H,1H3,(H,18,19).
What are the key properties of 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one has a molecular weight of 349.80 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one is sourced from PubChem (CID 22425128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).