3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile

C17H12N2O — CID 83129970

IUPAC3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile
SMILESCc1cc(-c2cc3ccccc3nc2C#N)ccc1O
InChIInChI=1S/C17H12N2O/c1-11-8-12(6-7-17(11)20)14-9-13-4-2-3-5-15(13)19-16(14)10-18/h2-9,20H,1H3
InChIKeyRKWKZHHZYUHQIE-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.79
Rot. Bonds1

About 3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile

3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile (PubChem CID 83129970) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile
PubChem CID83129970
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile
SMILESCc1cc(-c2cc3ccccc3nc2C#N)ccc1O
InChIInChI=1S/C17H12N2O/c1-11-8-12(6-7-17(11)20)14-9-13-4-2-3-5-15(13)19-16(14)10-18/h2-9,20H,1H3
InChIKeyRKWKZHHZYUHQIE-UHFFFAOYSA-N
XLogP3.79
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile?
The IUPAC name of 3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile (CID 83129970) is 3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile.
What is the SMILES notation for 3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile?
The canonical SMILES for 3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile is Cc1cc(-c2cc3ccccc3nc2C#N)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile?
The InChIKey is RKWKZHHZYUHQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-11-8-12(6-7-17(11)20)14-9-13-4-2-3-5-15(13)19-16(14)10-18/h2-9,20H,1H3.
What are the key properties of 3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile?
3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile is sourced from PubChem (CID 83129970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).