2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile

C18H15N3 — CID 62090812

IUPAC2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
SMILESCc1ccc(CNc2nc3ccccc3cc2C#N)cc1
InChIInChI=1S/C18H15N3/c1-13-6-8-14(9-7-13)12-20-18-16(11-19)10-15-4-2-3-5-17(15)21-18/h2-10H,12H2,1H3,(H,20,21)
InChIKeyXWROIHJGIAIJTJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.03
Rot. Bonds3

About 2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile

2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile (PubChem CID 62090812) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
PubChem CID62090812
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
SMILESCc1ccc(CNc2nc3ccccc3cc2C#N)cc1
InChIInChI=1S/C18H15N3/c1-13-6-8-14(9-7-13)12-20-18-16(11-19)10-15-4-2-3-5-17(15)21-18/h2-10H,12H2,1H3,(H,20,21)
InChIKeyXWROIHJGIAIJTJ-UHFFFAOYSA-N
XLogP4.03
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile (CID 62090812) is 2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile is Cc1ccc(CNc2nc3ccccc3cc2C#N)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile?
The InChIKey is XWROIHJGIAIJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-13-6-8-14(9-7-13)12-20-18-16(11-19)10-15-4-2-3-5-17(15)21-18/h2-10H,12H2,1H3,(H,20,21).
What are the key properties of 2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile?
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 62090812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).