7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one

C19H12ClNO2S — CID 142065282

IUPAC7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2cc1-c1cccc(Oc2ccsc2)c1
InChIInChI=1S/C19H12ClNO2S/c20-14-5-4-13-9-17(19(22)21-18(13)10-14)12-2-1-3-15(8-12)23-16-6-7-24-11-16/h1-11H,(H,21,22)
InChIKeyBOVDAZIQJJFQKR-UHFFFAOYSA-N
MW353.83 g/mol
LogP5.70
Rot. Bonds3

About 7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one

7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one (PubChem CID 142065282) has the molecular formula C19H12ClNO2S and a molecular weight of 353.83 g/mol. Its IUPAC name is 7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one
PubChem CID142065282
Molecular FormulaC19H12ClNO2S
Molecular Weight353.83 g/mol
Exact Mass353.03
IUPAC Name7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2cc1-c1cccc(Oc2ccsc2)c1
InChIInChI=1S/C19H12ClNO2S/c20-14-5-4-13-9-17(19(22)21-18(13)10-14)12-2-1-3-15(8-12)23-16-6-7-24-11-16/h1-11H,(H,21,22)
InChIKeyBOVDAZIQJJFQKR-UHFFFAOYSA-N
XLogP5.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.83
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
3-(3-hydroxyphenyl)-1H-quinolin-2-one
CID 11989516
7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one
CID 87164630
6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one
CID 166443744
(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid
CID 10945159
3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one
CID 945708
3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 176902560
7-chloro-1H-1-benzazepine-2,3-dione
CID 175535204
6-chloro-3-(2-chlorophenyl)-1H-quinolin-2-one
CID 175986365
6-chloro-4-pyridin-4-yl-3-thiophen-3-yl-1H-quinolin-2-one
CID 118677168
[(3R)-3-[(6-chloro-1H-indol-2-yl)amino]pyrrolidin-1-yl]-(2-thiophen-3-ylphenyl)methanone
CID 141358963
6-chloro-3-iodo-4-phenoxy-1H-quinolin-2-one
CID 68556010

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one (CID 142065282) is 7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2cc1-c1cccc(Oc2ccsc2)c1.
What is the InChIKey of 7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one?
The InChIKey is BOVDAZIQJJFQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO2S/c20-14-5-4-13-9-17(19(22)21-18(13)10-14)12-2-1-3-15(8-12)23-16-6-7-24-11-16/h1-11H,(H,21,22).
What are the key properties of 7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one?
7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one has a molecular weight of 353.83 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 142065282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).