2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile

C17H19N3 — CID 79234787

IUPAC2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile
SMILESCc1cc(CNC2CCCC2C#N)c2ccccc2n1
InChIInChI=1S/C17H19N3/c1-12-9-14(15-6-2-3-7-17(15)20-12)11-19-16-8-4-5-13(16)10-18/h2-3,6-7,9,13,16,19H,4-5,8,11H2,1H3
InChIKeyDIVMVKAFPCRPOL-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.33
Rot. Bonds3

About 2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile

2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 79234787) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile
PubChem CID79234787
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile
SMILESCc1cc(CNC2CCCC2C#N)c2ccccc2n1
InChIInChI=1S/C17H19N3/c1-12-9-14(15-6-2-3-7-17(15)20-12)11-19-16-8-4-5-13(16)10-18/h2-3,6-7,9,13,16,19H,4-5,8,11H2,1H3
InChIKeyDIVMVKAFPCRPOL-UHFFFAOYSA-N
XLogP3.33
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile (CID 79234787) is 2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile is Cc1cc(CNC2CCCC2C#N)c2ccccc2n1.
What is the InChIKey of 2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is DIVMVKAFPCRPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-9-14(15-6-2-3-7-17(15)20-12)11-19-16-8-4-5-13(16)10-18/h2-3,6-7,9,13,16,19H,4-5,8,11H2,1H3.
What are the key properties of 2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile?
2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-4-yl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79234787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).