2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile

C18H18N4 — CID 140819673

IUPAC2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile
SMILESCC1(C)CCCC1Nc1nc2c(C#N)cccc2cc1C#N
InChIInChI=1S/C18H18N4/c1-18(2)8-4-7-15(18)21-17-14(11-20)9-12-5-3-6-13(10-19)16(12)22-17/h3,5-6,9,15H,4,7-8H2,1-2H3,(H,21,22)
InChIKeyNIPOQZNXBYWWOJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.97
Rot. Bonds2

About 2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile

2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile (PubChem CID 140819673) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile
PubChem CID140819673
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile
SMILESCC1(C)CCCC1Nc1nc2c(C#N)cccc2cc1C#N
InChIInChI=1S/C18H18N4/c1-18(2)8-4-7-15(18)21-17-14(11-20)9-12-5-3-6-13(10-19)16(12)22-17/h3,5-6,9,15H,4,7-8H2,1-2H3,(H,21,22)
InChIKeyNIPOQZNXBYWWOJ-UHFFFAOYSA-N
XLogP3.97
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile?
The IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile (CID 140819673) is 2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile.
What is the SMILES notation for 2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile?
The canonical SMILES for 2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile is CC1(C)CCCC1Nc1nc2c(C#N)cccc2cc1C#N.
What is the InChIKey of 2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile?
The InChIKey is NIPOQZNXBYWWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-18(2)8-4-7-15(18)21-17-14(11-20)9-12-5-3-6-13(10-19)16(12)22-17/h3,5-6,9,15H,4,7-8H2,1-2H3,(H,21,22).
What are the key properties of 2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile?
2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopentyl)amino]quinoline-3,8-dicarbonitrile is sourced from PubChem (CID 140819673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).