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

C22H16ClNO3 — CID 54684562

IUPAC7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H16ClNO3/c23-16-9-10-18-19(12-16)24-22(26)20(21(18)25)15-7-4-8-17(11-15)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,24,25,26)
InChIKeyUBBYEXSKUAVQBJ-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.13
Rot. Bonds4

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

7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one (PubChem CID 54684562) has the molecular formula C22H16ClNO3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one
PubChem CID54684562
Molecular FormulaC22H16ClNO3
Molecular Weight377.83 g/mol
Exact Mass377.08
IUPAC Name7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H16ClNO3/c23-16-9-10-18-19(12-16)24-22(26)20(21(18)25)15-7-4-8-17(11-15)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,24,25,26)
InChIKeyUBBYEXSKUAVQBJ-UHFFFAOYSA-N
XLogP5.13
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.13
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-(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
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-(thiophen-3-yloxy)-phenyl]-1H-quinolin-2-one
CID 54678923
7-chloro-4-hydroxy-3-[3-(2-methylphenoxy)phenyl]-1H-quinolin-2-one
CID 54682999
7-chloro-5-ethyl-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one
CID 54702678
7-Chloro-4-hydroxy-3-(4-methoxyphenyl)quinolin-2(1H)-one
CID 54710481

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one (CID 54684562) is 7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one?
The InChIKey is UBBYEXSKUAVQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO3/c23-16-9-10-18-19(12-16)24-22(26)20(21(18)25)15-7-4-8-17(11-15)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,24,25,26).
What are the key properties of 7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(3-phenylmethoxyphenyl)-1H-quinolin-2-one has a molecular weight of 377.83 g/mol, XLogP of 5.13, 4 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-(3-phenylmethoxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54684562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).