2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile

C17H12ClN3 — CID 62090102

IUPAC2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NCc1ccccc1Cl
InChIInChI=1S/C17H12ClN3/c18-15-7-3-1-6-13(15)11-20-17-14(10-19)9-12-5-2-4-8-16(12)21-17/h1-9H,11H2,(H,20,21)
InChIKeySPKZNDLGBKSTRK-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.37
Rot. Bonds3

About 2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile

2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile (PubChem CID 62090102) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
PubChem CID62090102
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NCc1ccccc1Cl
InChIInChI=1S/C17H12ClN3/c18-15-7-3-1-6-13(15)11-20-17-14(10-19)9-12-5-2-4-8-16(12)21-17/h1-9H,11H2,(H,20,21)
InChIKeySPKZNDLGBKSTRK-UHFFFAOYSA-N
XLogP4.37
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile (CID 62090102) is 2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1NCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile?
The InChIKey is SPKZNDLGBKSTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-15-7-3-1-6-13(15)11-20-17-14(10-19)9-12-5-2-4-8-16(12)21-17/h1-9H,11H2,(H,20,21).
What are the key properties of 2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile?
2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile has a molecular weight of 293.76 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 62090102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).