4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile

C22H14N2O3 — CID 54751098

IUPAC4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(O)c2cc(-c3ccc(-c4ccccc4O)cc3)ccc2[nH]c1=O
InChIInChI=1S/C22H14N2O3/c23-12-18-21(26)17-11-15(9-10-19(17)24-22(18)27)13-5-7-14(8-6-13)16-3-1-2-4-20(16)25/h1-11,25H,(H2,24,26,27)
InChIKeyLXTNNPFHINYWLL-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.14
Rot. Bonds2

About 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile

4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 54751098) has the molecular formula C22H14N2O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID54751098
Molecular FormulaC22H14N2O3
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(O)c2cc(-c3ccc(-c4ccccc4O)cc3)ccc2[nH]c1=O
InChIInChI=1S/C22H14N2O3/c23-12-18-21(26)17-11-15(9-10-19(17)24-22(18)27)13-5-7-14(8-6-13)16-3-1-2-4-20(16)25/h1-11,25H,(H2,24,26,27)
InChIKeyLXTNNPFHINYWLL-UHFFFAOYSA-N
XLogP4.14
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile (CID 54751098) is 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile is N#Cc1c(O)c2cc(-c3ccc(-c4ccccc4O)cc3)ccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is LXTNNPFHINYWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3/c23-12-18-21(26)17-11-15(9-10-19(17)24-22(18)27)13-5-7-14(8-6-13)16-3-1-2-4-20(16)25/h1-11,25H,(H2,24,26,27).
What are the key properties of 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile?
4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 354.37 g/mol, XLogP of 4.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 54751098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).