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

C21H14ClNO2 — CID 54712986

IUPAC7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H14ClNO2/c22-16-9-10-17-18(12-16)23-21(25)19(20(17)24)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H,(H2,23,24,25)
InChIKeyHLBCROJQYUOXJY-UHFFFAOYSA-N
MW347.80 g/mol
LogP5.22
Rot. Bonds2

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

7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one (PubChem CID 54712986) has the molecular formula C21H14ClNO2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one
PubChem CID54712986
Molecular FormulaC21H14ClNO2
Molecular Weight347.80 g/mol
Exact Mass347.07
IUPAC Name7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H14ClNO2/c22-16-9-10-17-18(12-16)23-21(25)19(20(17)24)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H,(H2,23,24,25)
InChIKeyHLBCROJQYUOXJY-UHFFFAOYSA-N
XLogP5.22
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.80
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one (CID 54712986) is 7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one?
The InChIKey is HLBCROJQYUOXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2/c22-16-9-10-17-18(12-16)23-21(25)19(20(17)24)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H,(H2,23,24,25).
What are the key properties of 7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one has a molecular weight of 347.80 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-(3-phenylphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54712986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).