2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile

C21H13N3O2 — CID 57391317

IUPAC2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(-c3ccccc3O)cc2)[nH]c2ccncc2c1=O
InChIInChI=1S/C21H13N3O2/c22-11-16-20(24-18-9-10-23-12-17(18)21(16)26)14-7-5-13(6-8-14)15-3-1-2-4-19(15)25/h1-10,12,25H,(H,24,26)
InChIKeyQTRXLPZDFVMNCI-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.83
Rot. Bonds2

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

2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 57391317) has the molecular formula C21H13N3O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID57391317
Molecular FormulaC21H13N3O2
Molecular Weight339.35 g/mol
Exact Mass339.10
IUPAC Name2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(-c3ccccc3O)cc2)[nH]c2ccncc2c1=O
InChIInChI=1S/C21H13N3O2/c22-11-16-20(24-18-9-10-23-12-17(18)21(16)26)14-7-5-13(6-8-14)15-3-1-2-4-19(15)25/h1-10,12,25H,(H,24,26)
InChIKeyQTRXLPZDFVMNCI-UHFFFAOYSA-N
XLogP3.83
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-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 2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (CID 57391317) is 2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is N#Cc1c(-c2ccc(-c3ccccc3O)cc2)[nH]c2ccncc2c1=O.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is QTRXLPZDFVMNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2/c22-11-16-20(24-18-9-10-23-12-17(18)21(16)26)14-7-5-13(6-8-14)15-3-1-2-4-19(15)25/h1-10,12,25H,(H,24,26).
What are the key properties of 2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 339.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 57391317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).