2-benzyl-3-hydroxyquinoline-7-carbonitrile

C17H12N2O — CID 18182238

IUPAC2-benzyl-3-hydroxyquinoline-7-carbonitrile
SMILESN#Cc1ccc2cc(O)c(Cc3ccccc3)nc2c1
InChIInChI=1S/C17H12N2O/c18-11-13-6-7-14-10-17(20)16(19-15(14)9-13)8-12-4-2-1-3-5-12/h1-7,9-10,20H,8H2
InChIKeyHFNTYXGIZRHOIM-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.40
Rot. Bonds2

About 2-benzyl-3-hydroxyquinoline-7-carbonitrile

2-benzyl-3-hydroxyquinoline-7-carbonitrile (PubChem CID 18182238) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-benzyl-3-hydroxyquinoline-7-carbonitrile.

Molecular Properties

Compound Name2-benzyl-3-hydroxyquinoline-7-carbonitrile
PubChem CID18182238
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-benzyl-3-hydroxyquinoline-7-carbonitrile
SMILESN#Cc1ccc2cc(O)c(Cc3ccccc3)nc2c1
InChIInChI=1S/C17H12N2O/c18-11-13-6-7-14-10-17(20)16(19-15(14)9-13)8-12-4-2-1-3-5-12/h1-7,9-10,20H,8H2
InChIKeyHFNTYXGIZRHOIM-UHFFFAOYSA-N
XLogP3.40
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-hydroxyquinoline-7-carbonitrile?
The IUPAC name of 2-benzyl-3-hydroxyquinoline-7-carbonitrile (CID 18182238) is 2-benzyl-3-hydroxyquinoline-7-carbonitrile.
What is the SMILES notation for 2-benzyl-3-hydroxyquinoline-7-carbonitrile?
The canonical SMILES for 2-benzyl-3-hydroxyquinoline-7-carbonitrile is N#Cc1ccc2cc(O)c(Cc3ccccc3)nc2c1.
What is the InChIKey of 2-benzyl-3-hydroxyquinoline-7-carbonitrile?
The InChIKey is HFNTYXGIZRHOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c18-11-13-6-7-14-10-17(20)16(19-15(14)9-13)8-12-4-2-1-3-5-12/h1-7,9-10,20H,8H2.
What are the key properties of 2-benzyl-3-hydroxyquinoline-7-carbonitrile?
2-benzyl-3-hydroxyquinoline-7-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-hydroxyquinoline-7-carbonitrile is sourced from PubChem (CID 18182238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).