4-(propylamino)quinoline-3-carbonitrile

C13H13N3 — CID 43668866

IUPAC4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C13H13N3/c1-2-7-15-13-10(8-14)9-16-12-6-4-3-5-11(12)13/h3-6,9H,2,7H2,1H3,(H,15,16)
InChIKeyLBJGBPWEMCVGBB-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.93
Rot. Bonds3

About 4-(propylamino)quinoline-3-carbonitrile

4-(propylamino)quinoline-3-carbonitrile (PubChem CID 43668866) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-(propylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(propylamino)quinoline-3-carbonitrile
PubChem CID43668866
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C13H13N3/c1-2-7-15-13-10(8-14)9-16-12-6-4-3-5-11(12)13/h3-6,9H,2,7H2,1H3,(H,15,16)
InChIKeyLBJGBPWEMCVGBB-UHFFFAOYSA-N
XLogP2.93
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
4-(propylamino)benzo[h]quinoline-3-carbonitrile
CID 62188673
6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068
4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
CID 61463091
3-[(3-cyanoquinolin-4-yl)amino]propanamide
CID 43669033
4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
CID 104594174
8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
CID 62187998
4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile
CID 103703002
4-[2-(1-methylpyrazol-4-yl)ethylamino]quinoline-3-carbonitrile
CID 80684252

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-(propylamino)quinoline-3-carbonitrile (CID 43668866) is 4-(propylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(propylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(propylamino)quinoline-3-carbonitrile is CCCNc1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-(propylamino)quinoline-3-carbonitrile?
The InChIKey is LBJGBPWEMCVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-7-15-13-10(8-14)9-16-12-6-4-3-5-11(12)13/h3-6,9H,2,7H2,1H3,(H,15,16).
What are the key properties of 4-(propylamino)quinoline-3-carbonitrile?
4-(propylamino)quinoline-3-carbonitrile has a molecular weight of 211.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 43668866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).