2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile

C15H16N4 — CID 63883694

IUPAC2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile
SMILESCN(c1cc(C#N)c2ccccc2n1)C1CCNC1
InChIInChI=1S/C15H16N4/c1-19(12-6-7-17-10-12)15-8-11(9-16)13-4-2-3-5-14(13)18-15/h2-5,8,12,17H,6-7,10H2,1H3
InChIKeyKXWKRXNBNBUYTH-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.90
Rot. Bonds2

About 2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile

2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile (PubChem CID 63883694) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile
PubChem CID63883694
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile
SMILESCN(c1cc(C#N)c2ccccc2n1)C1CCNC1
InChIInChI=1S/C15H16N4/c1-19(12-6-7-17-10-12)15-8-11(9-16)13-4-2-3-5-14(13)18-15/h2-5,8,12,17H,6-7,10H2,1H3
InChIKeyKXWKRXNBNBUYTH-UHFFFAOYSA-N
XLogP1.90
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile (CID 63883694) is 2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile is CN(c1cc(C#N)c2ccccc2n1)C1CCNC1.
What is the InChIKey of 2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile?
The InChIKey is KXWKRXNBNBUYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19(12-6-7-17-10-12)15-8-11(9-16)13-4-2-3-5-14(13)18-15/h2-5,8,12,17H,6-7,10H2,1H3.
What are the key properties of 2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile?
2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile is sourced from PubChem (CID 63883694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).