2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile

C15H15N3 — CID 63885823

IUPAC2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile
SMILESCC1(C)CC1Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C15H15N3/c1-15(2)8-13(15)18-14-7-10(9-16)11-5-3-4-6-12(11)17-14/h3-7,13H,8H2,1-2H3,(H,17,18)
InChIKeyIOQLVZXRXJMDMD-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.32
Rot. Bonds2

About 2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile

2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile (PubChem CID 63885823) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile
PubChem CID63885823
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile
SMILESCC1(C)CC1Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C15H15N3/c1-15(2)8-13(15)18-14-7-10(9-16)11-5-3-4-6-12(11)17-14/h3-7,13H,8H2,1-2H3,(H,17,18)
InChIKeyIOQLVZXRXJMDMD-UHFFFAOYSA-N
XLogP3.32
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilinoquinoline-4-carbonitrile
CID 63884486
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 79361457
2-(oxan-4-ylamino)quinoline-4-carbonitrile
CID 63885816
2-(1-cyclopropylethylamino)quinoline-4-carbonitrile
CID 63884847
2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile
CID 99857872
2-[(2,3-dimethylcyclohexyl)amino]quinoline-4-carbonitrile
CID 63885038
2-[(2-aminocyclopentyl)amino]quinoline-4-carbonitrile
CID 63886409
6-nitro-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]quinoline-4-carbonitrile
CID 133439483
2-(1-cyclobutylethylamino)quinoline-4-carbonitrile
CID 115766655
2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 103736838
2-(2-methoxyanilino)quinoline-4-carbonitrile
CID 63885647
2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile
CID 83015311

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile (CID 63885823) is 2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile is CC1(C)CC1Nc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile?
The InChIKey is IOQLVZXRXJMDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-15(2)8-13(15)18-14-7-10(9-16)11-5-3-4-6-12(11)17-14/h3-7,13H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile?
2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile is sourced from PubChem (CID 63885823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).