7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one

C23H18ClNO3 — CID 54702678

IUPAC7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one
SMILESCCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12
InChIInChI=1S/C23H18ClNO3/c1-2-14-11-16(24)13-19-20(14)22(26)21(23(27)25-19)15-7-6-10-18(12-15)28-17-8-4-3-5-9-17/h3-13H,2H2,1H3,(H2,25,26,27)
InChIKeyUUCCNPPHLCDJTK-UHFFFAOYSA-N
MW391.85 g/mol
LogP5.91
Rot. Bonds4

About 7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one

7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one (PubChem CID 54702678) has the molecular formula C23H18ClNO3 and a molecular weight of 391.85 g/mol. Its IUPAC name is 7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one
PubChem CID54702678
Molecular FormulaC23H18ClNO3
Molecular Weight391.85 g/mol
Exact Mass391.10
IUPAC Name7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one
SMILESCCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12
InChIInChI=1S/C23H18ClNO3/c1-2-14-11-16(24)13-19-20(14)22(26)21(23(27)25-19)15-7-6-10-18(12-15)28-17-8-4-3-5-9-17/h3-13H,2H2,1H3,(H2,25,26,27)
InChIKeyUUCCNPPHLCDJTK-UHFFFAOYSA-N
XLogP5.91
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.85
LogP ≤ 55.91
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
7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-2(1H)-Quinolinone
CID 54679302
7-chloro-4-hydroxy-3-(3-methoxyphenyl)-2(1H)-quinolone
CID 54685508
2QUINOLONE4HYDROXY7CHLORO3-p-MeO-BzPh
CID 54689452
7-chloro-5-ethyl-4-hydroxy-3-(3-methoxyphenyl)-1H-quinolin-2-one
CID 54728653
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
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
7-Chloro-4-hydroxy-3-(4-methoxyphenyl)quinolin-2(1H)-one
CID 54710481
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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one (CID 54702678) is 7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one is CCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12.
What is the InChIKey of 7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
The InChIKey is UUCCNPPHLCDJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO3/c1-2-14-11-16(24)13-19-20(14)22(26)21(23(27)25-19)15-7-6-10-18(12-15)28-17-8-4-3-5-9-17/h3-13H,2H2,1H3,(H2,25,26,27).
What are the key properties of 7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one has a molecular weight of 391.85 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54702678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).