2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile

C15H16N4 — CID 103577412

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile
SMILESCC1CN(c2nc3ccccc3cc2C#N)CC1N
InChIInChI=1S/C15H16N4/c1-10-8-19(9-13(10)17)15-12(7-16)6-11-4-2-3-5-14(11)18-15/h2-6,10,13H,8-9,17H2,1H3
InChIKeyNUFDKSILZNOPHR-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.89
Rot. Bonds1

About 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile

2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile (PubChem CID 103577412) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile
PubChem CID103577412
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile
SMILESCC1CN(c2nc3ccccc3cc2C#N)CC1N
InChIInChI=1S/C15H16N4/c1-10-8-19(9-13(10)17)15-12(7-16)6-11-4-2-3-5-14(11)18-15/h2-6,10,13H,8-9,17H2,1H3
InChIKeyNUFDKSILZNOPHR-UHFFFAOYSA-N
XLogP1.89
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile (CID 103577412) is 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile is CC1CN(c2nc3ccccc3cc2C#N)CC1N.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile?
The InChIKey is NUFDKSILZNOPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-8-19(9-13(10)17)15-12(7-16)6-11-4-2-3-5-14(11)18-15/h2-6,10,13H,8-9,17H2,1H3.
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile?
2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 103577412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).