2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile

C17H11ClN2O — CID 63885664

IUPAC2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile
SMILESN#Cc1cc(OCc2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C17H11ClN2O/c18-15-7-3-1-5-12(15)11-21-17-9-13(10-19)14-6-2-4-8-16(14)20-17/h1-9H,11H2
InChIKeyYBVZOLPRNIXPMI-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.34
Rot. Bonds3

About 2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile

2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile (PubChem CID 63885664) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile
PubChem CID63885664
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile
SMILESN#Cc1cc(OCc2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C17H11ClN2O/c18-15-7-3-1-5-12(15)11-21-17-9-13(10-19)14-6-2-4-8-16(14)20-17/h1-9H,11H2
InChIKeyYBVZOLPRNIXPMI-UHFFFAOYSA-N
XLogP4.34
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile (CID 63885664) is 2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile is N#Cc1cc(OCc2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile?
The InChIKey is YBVZOLPRNIXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c18-15-7-3-1-5-12(15)11-21-17-9-13(10-19)14-6-2-4-8-16(14)20-17/h1-9H,11H2.
What are the key properties of 2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile?
2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile has a molecular weight of 294.74 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile is sourced from PubChem (CID 63885664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).