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

C21H14ClNO3 — CID 54679302

IUPAC7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H14ClNO3/c22-14-8-11-17-18(12-14)23-21(25)19(20(17)24)13-6-9-16(10-7-13)26-15-4-2-1-3-5-15/h1-12H,(H2,23,24,25)
InChIKeyPDJGPBAMXFVBLT-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.35
Rot. Bonds3

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

7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one (PubChem CID 54679302) has the molecular formula C21H14ClNO3 and a molecular weight of 363.80 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one
PubChem CID54679302
Molecular FormulaC21H14ClNO3
Molecular Weight363.80 g/mol
Exact Mass363.07
IUPAC Name7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H14ClNO3/c22-14-8-11-17-18(12-14)23-21(25)19(20(17)24)13-6-9-16(10-7-13)26-15-4-2-1-3-5-15/h1-12H,(H2,23,24,25)
InChIKeyPDJGPBAMXFVBLT-UHFFFAOYSA-N
XLogP5.35
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.80
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Chloro-4-hydroxy-3-(3-phenoxyphenyl)-2(1H)-quinolinone
CID 54682505
3-Phenyl-4-hydroxy-7-chloroquinolin-2(1H)-one
CID 54697468
7-Chloroquinolone,3-(O-hydroxyphenyl)
CID 10492365
7-Chloro-4-hydroxy-3-[3-(4-methoxymethoxy-benzyl)-phenyl]-1H-quinolin-2-one
CID 54678940
7-chloro-4-hydroxy-3-(3-methoxyphenyl)-2(1H)-quinolone
CID 54685508
2QUINOLONE4HYDROXY7CHLORO3-p-MeO-BzPh
CID 54689452
N-(3-Chlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 903519
4-Chloro-2-{[(4-methoxyphenyl)acetyl]amino}benzoic acid
CID 839406
7-chloro-5-ethyl-4-hydroxy-3-(3-methoxyphenyl)-1H-quinolin-2-one
CID 54728653
4-Chloro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 1254149
4-Amino-7-chloro-3-(3-phenoxy-phenyl)-1H-quinolin-2-one
CID 10713713
[7-Chloro-2-oxo-3-(3-phenoxy-phenyl)-1,2-dihydro-quinolin-4-yloxy]-acetic acid
CID 11796465

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one (CID 54679302) is 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one?
The InChIKey is PDJGPBAMXFVBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO3/c22-14-8-11-17-18(12-14)23-21(25)19(20(17)24)13-6-9-16(10-7-13)26-15-4-2-1-3-5-15/h1-12H,(H2,23,24,25).
What are the key properties of 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one has a molecular weight of 363.80 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54679302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).