6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile

C16H10N2O2 — CID 135430315

IUPAC6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12
InChIInChI=1S/C16H10N2O2/c17-9-11-7-16(10-1-3-12(19)4-2-10)18-15-6-5-13(20)8-14(11)15/h1-8,19-20H
InChIKeyLGNJPIOPTLOFKV-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.18
Rot. Bonds1

About 6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile

6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile (PubChem CID 135430315) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile
PubChem CID135430315
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12
InChIInChI=1S/C16H10N2O2/c17-9-11-7-16(10-1-3-12(19)4-2-10)18-15-6-5-13(20)8-14(11)15/h1-8,19-20H
InChIKeyLGNJPIOPTLOFKV-UHFFFAOYSA-N
XLogP3.18
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile?
The IUPAC name of 6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile (CID 135430315) is 6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile.
What is the SMILES notation for 6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile?
The canonical SMILES for 6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile is N#Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12.
What is the InChIKey of 6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile?
The InChIKey is LGNJPIOPTLOFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c17-9-11-7-16(10-1-3-12(19)4-2-10)18-15-6-5-13(20)8-14(11)15/h1-8,19-20H.
What are the key properties of 6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile?
6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(4-hydroxyphenyl)quinoline-4-carbonitrile is sourced from PubChem (CID 135430315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).