7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one

C23H14ClNO2 — CID 54683875

IUPAC7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C23H14ClNO2/c24-18-11-12-19-20(14-18)25-23(27)21(22(19)26)17-8-4-7-16(13-17)10-9-15-5-2-1-3-6-15/h1-8,11-14H,(H2,25,26,27)
InChIKeyKRKDGIWUMYUKKW-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.95
Rot. Bonds1

About 7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one

7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one (PubChem CID 54683875) has the molecular formula C23H14ClNO2 and a molecular weight of 371.82 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one
PubChem CID54683875
Molecular FormulaC23H14ClNO2
Molecular Weight371.82 g/mol
Exact Mass371.07
IUPAC Name7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C23H14ClNO2/c24-18-11-12-19-20(14-18)25-23(27)21(22(19)26)17-8-4-7-16(13-17)10-9-15-5-2-1-3-6-15/h1-8,11-14H,(H2,25,26,27)
InChIKeyKRKDGIWUMYUKKW-UHFFFAOYSA-N
XLogP4.95
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-Phenyl-4-hydroxy-7-chloroquinolin-2(1H)-one
CID 54697468
(7-Chloro-2,4-dihydroxyquinolin-3-yl)(phenyl)methanone
CID 135470372
5,7-dichloro-4-hydroxy-3-phenyl-1H-quinolin-2-one
CID 54710618
7-Chloroquinolone,3-(O-hydroxyphenyl)
CID 10492365
2QUINOLONE4HYDROXY7CHLORO3-p-MeO-BzPh
CID 54689452
3-(3-benzylaminophenyl)-7-chloro-4-hydroxy-2(1H)-quinolone
CID 54710935
4-Chloro-2-[(naphthalen-1-ylacetyl)amino]benzoic acid
CID 2975908
7-Chloro-2-hydroxy-3-(3-{4-[2-(4-morpholinyl)ethyl]benzyl}phenyl)-4(1H)-quinolinone
CID 54689660
4-Hydroxy-7-chloroquinolone,3-(3-acetyl-4-hydrox
CID 54717341
7-chloro-5-ethyl-4-hydroxy-3-[3-(methylamino)phenyl]-1H-quinolin-2-one
CID 54735565
7-chloro-4-hydroxy-3-[3-[[4-(methylamino)phenyl]methyl]phenyl]-1H-quinolin-2-one
CID 54735572
7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinoline-4-carboxylic acid
CID 10661904

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one (CID 54683875) is 7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(C#Cc2ccccc2)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one?
The InChIKey is KRKDGIWUMYUKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClNO2/c24-18-11-12-19-20(14-18)25-23(27)21(22(19)26)17-8-4-7-16(13-17)10-9-15-5-2-1-3-6-15/h1-8,11-14H,(H2,25,26,27).
What are the key properties of 7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one has a molecular weight of 371.82 g/mol, XLogP of 4.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 54683875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).