7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one

C19H12ClNO3S — CID 54678923

IUPAC7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccsc2)c1
InChIInChI=1S/C19H12ClNO3S/c20-12-4-5-15-16(9-12)21-19(23)17(18(15)22)11-2-1-3-13(8-11)24-14-6-7-25-10-14/h1-10H,(H2,21,22,23)
InChIKeyASDUOZQLLPOESZ-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.41
Rot. Bonds3

About 7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one

7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one (PubChem CID 54678923) has the molecular formula C19H12ClNO3S and a molecular weight of 369.83 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one
PubChem CID54678923
Molecular FormulaC19H12ClNO3S
Molecular Weight369.83 g/mol
Exact Mass369.02
IUPAC Name7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccsc2)c1
InChIInChI=1S/C19H12ClNO3S/c20-12-4-5-15-16(9-12)21-19(23)17(18(15)22)11-2-1-3-13(8-11)24-14-6-7-25-10-14/h1-10H,(H2,21,22,23)
InChIKeyASDUOZQLLPOESZ-UHFFFAOYSA-N
XLogP5.41
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-4-hydroxy-3-(3-phenoxyphenyl)-2(1H)-quinolinone
CID 54682505
7-chloro-4-hydroxy-3-(3-methoxyphenyl)-2(1H)-quinolone
CID 54685508
7-chloro-4-hydroxy-3-[3-(2-methylphenoxy)phenyl]-1H-quinolin-2-one
CID 54682999
3-(3-benzyloxyphenyl)-7-chloro-4-hydroxy-2(1H)-quinolone
CID 54684562
2-chloro-3-cyclopropyl-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
CID 54705633
7-chloro-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-1H-quinolin-2-one
CID 54710924
7-chloro-4-hydroxy-3-[3-(4-methylphenoxy)phenyl]-1H-quinolin-2-one
CID 54717331
7-Chloro-4-hydroxy-3-(3-thiophen-3-ylmethyl-phenyl)-1H-quinolin-2-one
CID 54720924
3-tert-butyl-2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
CID 54676806
2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
CID 54677943
2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-3-propyl-7H-thieno[2,3-b]pyridin-6-one
CID 54677958
2-chloro-3-hexyl-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
CID 54679836

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one (CID 54678923) is 7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccsc2)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one?
The InChIKey is ASDUOZQLLPOESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO3S/c20-12-4-5-15-16(9-12)21-19(23)17(18(15)22)11-2-1-3-13(8-11)24-14-6-7-25-10-14/h1-10H,(H2,21,22,23).
What are the key properties of 7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one has a molecular weight of 369.83 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-(3-thiophen-3-yloxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54678923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).