2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile

C16H17N3 — CID 103736838

IUPAC2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
SMILESCCC1(CNc2cc(C#N)c3ccccc3n2)CC1
InChIInChI=1S/C16H17N3/c1-2-16(7-8-16)11-18-15-9-12(10-17)13-5-3-4-6-14(13)19-15/h3-6,9H,2,7-8,11H2,1H3,(H,18,19)
InChIKeyGXLFIHUSIAMHIQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.71
Rot. Bonds4

About 2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile

2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile (PubChem CID 103736838) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
PubChem CID103736838
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
SMILESCCC1(CNc2cc(C#N)c3ccccc3n2)CC1
InChIInChI=1S/C16H17N3/c1-2-16(7-8-16)11-18-15-9-12(10-17)13-5-3-4-6-14(13)19-15/h3-6,9H,2,7-8,11H2,1H3,(H,18,19)
InChIKeyGXLFIHUSIAMHIQ-UHFFFAOYSA-N
XLogP3.71
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinoline-4-carbonitrile
CID 79479205
1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450530
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 79361457
2-(2,3,3-trimethylbutylamino)quinoline-4-carbonitrile
CID 83142408
2-anilinoquinoline-4-carbonitrile
CID 63884486
6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736862
2-[(2,2-dimethylcyclopropyl)amino]quinoline-4-carbonitrile
CID 63885823
2-(4-methylpentan-2-ylamino)quinoline-4-carbonitrile
CID 63884068
2-[(4-cyanoquinolin-2-yl)amino]acetamide
CID 63883869
2-(3-methylsulfinylpropylamino)quinoline-4-carbonitrile
CID 115637217
2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile
CID 96528544
2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile
CID 83030385

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile?
The IUPAC name of 2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile (CID 103736838) is 2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile is CCC1(CNc2cc(C#N)c3ccccc3n2)CC1.
What is the InChIKey of 2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile?
The InChIKey is GXLFIHUSIAMHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-16(7-8-16)11-18-15-9-12(10-17)13-5-3-4-6-14(13)19-15/h3-6,9H,2,7-8,11H2,1H3,(H,18,19).
What are the key properties of 2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile?
2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 103736838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).