3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile

C17H12N2O — CID 44432687

IUPAC3-hydroxy-5-(2-methylquinolin-7-yl)benzonitrile
SMILESCC1=NC2=C(C=C1)C=CC(=C2)C3=CC(=CC(=C3)C#N)O
InChIInChI=1S/C17H12N2O/c1-11-2-3-13-4-5-14(9-17(13)19-11)15-6-12(10-18)7-16(20)8-15/h2-9,20H,1H3
InChIKeyDYISJDYQAJMMQY-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.60
Rot. Bonds1

About 3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile

3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile (PubChem CID 44432687) has the molecular formula C17H12N2O and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-hydroxy-5-(2-methylquinolin-7-yl)benzonitrile.

Molecular Properties

Compound Name3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile
PubChem CID44432687
Molecular FormulaC17H12N2O
Molecular Weight260.29 g/mol
Exact Mass260.09
IUPAC Name3-hydroxy-5-(2-methylquinolin-7-yl)benzonitrile
SMILESCC1=NC2=C(C=C1)C=CC(=C2)C3=CC(=CC(=C3)C#N)O
InChIInChI=1S/C17H12N2O/c1-11-2-3-13-4-5-14(9-17(13)19-11)15-6-12(10-18)7-16(20)8-15/h2-9,20H,1H3
InChIKeyDYISJDYQAJMMQY-UHFFFAOYSA-N
XLogP3.60
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity388

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile?
The IUPAC name of 3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile (CID 44432687) is 3-hydroxy-5-(2-methylquinolin-7-yl)benzonitrile.
What is the SMILES notation for 3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile?
The canonical SMILES for 3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile is CC1=NC2=C(C=C1)C=CC(=C2)C3=CC(=CC(=C3)C#N)O.
What is the InChIKey of 3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile?
The InChIKey is DYISJDYQAJMMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-11-2-3-13-4-5-14(9-17(13)19-11)15-6-12(10-18)7-16(20)8-15/h2-9,20H,1H3.
What are the key properties of 3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile?
3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile has a molecular weight of 260.29 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile is sourced from PubChem (CID 44432687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).