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

C16H10N2O2 — CID 60870090

IUPAC4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Oc1ccc(O)cc1
InChIInChI=1S/C16H10N2O2/c17-9-11-10-18-15-4-2-1-3-14(15)16(11)20-13-7-5-12(19)6-8-13/h1-8,10,19H
InChIKeyMWPKPPPIUKYBDY-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.60
Rot. Bonds2

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

4-(4-hydroxyphenoxy)quinoline-3-carbonitrile (PubChem CID 60870090) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(4-hydroxyphenoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
PubChem CID60870090
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Oc1ccc(O)cc1
InChIInChI=1S/C16H10N2O2/c17-9-11-10-18-15-4-2-1-3-14(15)16(11)20-13-7-5-12(19)6-8-13/h1-8,10,19H
InChIKeyMWPKPPPIUKYBDY-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenoxy)quinoline-3-carbonitrile?
The IUPAC name of 4-(4-hydroxyphenoxy)quinoline-3-carbonitrile (CID 60870090) is 4-(4-hydroxyphenoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-hydroxyphenoxy)quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-hydroxyphenoxy)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1Oc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenoxy)quinoline-3-carbonitrile?
The InChIKey is MWPKPPPIUKYBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c17-9-11-10-18-15-4-2-1-3-14(15)16(11)20-13-7-5-12(19)6-8-13/h1-8,10,19H.
What are the key properties of 4-(4-hydroxyphenoxy)quinoline-3-carbonitrile?
4-(4-hydroxyphenoxy)quinoline-3-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 4-(4-hydroxyphenoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 60870090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).