2-(3-hydroxyphenoxy)quinoline-4-carbonitrile

C16H10N2O2 — CID 63886025

IUPAC2-(3-hydroxyphenoxy)quinoline-4-carbonitrile
SMILESN#Cc1cc(Oc2cccc(O)c2)nc2ccccc12
InChIInChI=1S/C16H10N2O2/c17-10-11-8-16(18-15-7-2-1-6-14(11)15)20-13-5-3-4-12(19)9-13/h1-9,19H
InChIKeyATYZMFJZYGRYMT-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.60
Rot. Bonds2

About 2-(3-hydroxyphenoxy)quinoline-4-carbonitrile

2-(3-hydroxyphenoxy)quinoline-4-carbonitrile (PubChem CID 63886025) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(3-hydroxyphenoxy)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxyphenoxy)quinoline-4-carbonitrile
PubChem CID63886025
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name2-(3-hydroxyphenoxy)quinoline-4-carbonitrile
SMILESN#Cc1cc(Oc2cccc(O)c2)nc2ccccc12
InChIInChI=1S/C16H10N2O2/c17-10-11-8-16(18-15-7-2-1-6-14(11)15)20-13-5-3-4-12(19)9-13/h1-9,19H
InChIKeyATYZMFJZYGRYMT-UHFFFAOYSA-N
XLogP3.60
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile
CID 135374130
2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile
CID 64602724
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile
CID 104590924
3-(2-methylquinolin-4-yl)oxyphenol
CID 60871458
2-(2-methylpropoxy)quinoline-4-carbonitrile
CID 57354646
2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile
CID 63885664
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile
CID 79679288
2-octoxyquinoline-4-carbonitrile
CID 63885669
2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile
CID 63886439
2-(3,5-dimethylcyclohexyl)oxyquinoline-4-carbonitrile
CID 64731054
2-phenoxyquinolin-4-amine
CID 158312324

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenoxy)quinoline-4-carbonitrile?
The IUPAC name of 2-(3-hydroxyphenoxy)quinoline-4-carbonitrile (CID 63886025) is 2-(3-hydroxyphenoxy)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(3-hydroxyphenoxy)quinoline-4-carbonitrile?
The canonical SMILES for 2-(3-hydroxyphenoxy)quinoline-4-carbonitrile is N#Cc1cc(Oc2cccc(O)c2)nc2ccccc12.
What is the InChIKey of 2-(3-hydroxyphenoxy)quinoline-4-carbonitrile?
The InChIKey is ATYZMFJZYGRYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c17-10-11-8-16(18-15-7-2-1-6-14(11)15)20-13-5-3-4-12(19)9-13/h1-9,19H.
What are the key properties of 2-(3-hydroxyphenoxy)quinoline-4-carbonitrile?
2-(3-hydroxyphenoxy)quinoline-4-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenoxy)quinoline-4-carbonitrile is sourced from PubChem (CID 63886025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).