5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one

C15H9Cl2NO2 — CID 11472257

IUPAC5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one
SMILESO=c1c(O)c(-c2ccccc2)[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C15H9Cl2NO2/c16-9-6-7-10-11(12(9)17)14(19)15(20)13(18-10)8-4-2-1-3-5-8/h1-7,20H,(H,18,19)
InChIKeyBLSMWEYTWKRCQR-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.21
Rot. Bonds1

About 5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one

5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one (PubChem CID 11472257) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is 5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one
PubChem CID11472257
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one
SMILESO=c1c(O)c(-c2ccccc2)[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C15H9Cl2NO2/c16-9-6-7-10-11(12(9)17)14(19)15(20)13(18-10)8-4-2-1-3-5-8/h1-7,20H,(H,18,19)
InChIKeyBLSMWEYTWKRCQR-UHFFFAOYSA-N
XLogP4.21
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one (CID 11472257) is 5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one is O=c1c(O)c(-c2ccccc2)[nH]c2ccc(Cl)c(Cl)c12.
What is the InChIKey of 5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one?
The InChIKey is BLSMWEYTWKRCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c16-9-6-7-10-11(12(9)17)14(19)15(20)13(18-10)8-4-2-1-3-5-8/h1-7,20H,(H,18,19).
What are the key properties of 5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one?
5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one has a molecular weight of 306.15 g/mol, XLogP of 4.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-hydroxy-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 11472257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).