2-(1-cyclopropylethylamino)quinoline-4-carbonitrile

C15H15N3 — CID 63884847

IUPAC2-(1-cyclopropylethylamino)quinoline-4-carbonitrile
SMILESCC(Nc1cc(C#N)c2ccccc2n1)C1CC1
InChIInChI=1S/C15H15N3/c1-10(11-6-7-11)17-15-8-12(9-16)13-4-2-3-5-14(13)18-15/h2-5,8,10-11H,6-7H2,1H3,(H,17,18)
InChIKeyKQACUBIMBXKKIX-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.32
Rot. Bonds3

About 2-(1-cyclopropylethylamino)quinoline-4-carbonitrile

2-(1-cyclopropylethylamino)quinoline-4-carbonitrile (PubChem CID 63884847) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(1-cyclopropylethylamino)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(1-cyclopropylethylamino)quinoline-4-carbonitrile
PubChem CID63884847
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(1-cyclopropylethylamino)quinoline-4-carbonitrile
SMILESCC(Nc1cc(C#N)c2ccccc2n1)C1CC1
InChIInChI=1S/C15H15N3/c1-10(11-6-7-11)17-15-8-12(9-16)13-4-2-3-5-14(13)18-15/h2-5,8,10-11H,6-7H2,1H3,(H,17,18)
InChIKeyKQACUBIMBXKKIX-UHFFFAOYSA-N
XLogP3.32
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(1-cyclobutylethylamino)quinoline-4-carbonitrile
CID 115766655
2-(4-methylpentan-2-ylamino)quinoline-4-carbonitrile
CID 63884068
2-[(1-hydroxy-3-methylbutan-2-yl)amino]quinoline-4-carbonitrile
CID 79249281
2-(oxan-4-ylamino)quinoline-4-carbonitrile
CID 63885816
2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide
CID 63886397
2-(hexan-2-ylamino)quinoline-4-carbonitrile
CID 63886594
2-(4-methylsulfanylbutan-2-ylamino)quinoline-4-carbonitrile
CID 115637714
2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile
CID 63885823
2-anilinoquinoline-4-carbonitrile
CID 63884486
2-(2,3,3-trimethylbutylamino)quinoline-4-carbonitrile
CID 83142408
2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile
CID 99857872
2-[(2,3-dimethylcyclohexyl)amino]quinoline-4-carbonitrile
CID 63885038

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylamino)quinoline-4-carbonitrile?
The IUPAC name of 2-(1-cyclopropylethylamino)quinoline-4-carbonitrile (CID 63884847) is 2-(1-cyclopropylethylamino)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(1-cyclopropylethylamino)quinoline-4-carbonitrile?
The canonical SMILES for 2-(1-cyclopropylethylamino)quinoline-4-carbonitrile is CC(Nc1cc(C#N)c2ccccc2n1)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylamino)quinoline-4-carbonitrile?
The InChIKey is KQACUBIMBXKKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10(11-6-7-11)17-15-8-12(9-16)13-4-2-3-5-14(13)18-15/h2-5,8,10-11H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-(1-cyclopropylethylamino)quinoline-4-carbonitrile?
2-(1-cyclopropylethylamino)quinoline-4-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylamino)quinoline-4-carbonitrile is sourced from PubChem (CID 63884847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).