2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid

C23H16ClNO5 — CID 11796465

IUPAC2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid
SMILESO=C(O)COc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C23H16ClNO5/c24-15-9-10-18-19(12-15)25-23(28)21(22(18)29-13-20(26)27)14-5-4-8-17(11-14)30-16-6-2-1-3-7-16/h1-12H,13H2,(H,25,28)(H,26,27)
InChIKeyFLGOMTYJUHAJQQ-UHFFFAOYSA-N
MW421.84 g/mol
LogP5.10
Rot. Bonds6

About 2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid

2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid (PubChem CID 11796465) has the molecular formula C23H16ClNO5 and a molecular weight of 421.84 g/mol. Its IUPAC name is 2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid
PubChem CID11796465
Molecular FormulaC23H16ClNO5
Molecular Weight421.84 g/mol
Exact Mass421.07
IUPAC Name2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid
SMILESO=C(O)COc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C23H16ClNO5/c24-15-9-10-18-19(12-15)25-23(28)21(22(18)29-13-20(26)27)14-5-4-8-17(11-14)30-16-6-2-1-3-7-16/h1-12H,13H2,(H,25,28)(H,26,27)
InChIKeyFLGOMTYJUHAJQQ-UHFFFAOYSA-N
XLogP5.10
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.84
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid with MolForge

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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
Trpm4-IN-2
CID 1295523
[2-(4-Chlorophenyl)-2-oxoethyl] 4-[(3-phenylmethoxybenzoyl)amino]benzoate
CID 71451488
7-chloro-5-ethyl-4-hydroxy-3-(3-methoxyphenyl)-1H-quinolin-2-one
CID 54728653
(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yloxy)-acetic acid
CID 10544360
(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yloxy)-acetic acid methyl ester
CID 10617376
4-Amino-7-chloro-3-(3-phenoxy-phenyl)-1H-quinolin-2-one
CID 10713713
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-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one
CID 54702678

Frequently Asked Questions

What is the IUPAC name of 2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid?
The IUPAC name of 2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid (CID 11796465) is 2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid?
The canonical SMILES for 2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid is O=C(O)COc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid?
The InChIKey is FLGOMTYJUHAJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO5/c24-15-9-10-18-19(12-15)25-23(28)21(22(18)29-13-20(26)27)14-5-4-8-17(11-14)30-16-6-2-1-3-7-16/h1-12H,13H2,(H,25,28)(H,26,27).
What are the key properties of 2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid?
2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid has a molecular weight of 421.84 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl]oxy]acetic acid is sourced from PubChem (CID 11796465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).