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

C21H14ClNO3 — CID 54682505

IUPAC7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)
InChIKeyFLVRDMUHUXVRET-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.35
Rot. Bonds3

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

7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one (PubChem CID 54682505) has the molecular formula C21H14ClNO3 and a molecular weight of 363.80 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one
PubChem CID54682505
Molecular FormulaC21H14ClNO3
Molecular Weight363.80 g/mol
Exact Mass363.07
IUPAC Name7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)
InChIKeyFLVRDMUHUXVRET-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one (CID 54682505) is 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
The InChIKey is FLVRDMUHUXVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25).
What are the key properties of 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(3-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-(3-phenoxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54682505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).