4-(4-methylpentylamino)quinoline-3-carbonitrile

C16H19N3 — CID 61038828

IUPAC4-(4-methylpentylamino)quinoline-3-carbonitrile
SMILESCC(C)CCCNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C16H19N3/c1-12(2)6-5-9-18-16-13(10-17)11-19-15-8-4-3-7-14(15)16/h3-4,7-8,11-12H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyKEVXGSFXXUMZRY-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.95
Rot. Bonds5

About 4-(4-methylpentylamino)quinoline-3-carbonitrile

4-(4-methylpentylamino)quinoline-3-carbonitrile (PubChem CID 61038828) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(4-methylpentylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methylpentylamino)quinoline-3-carbonitrile
PubChem CID61038828
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-(4-methylpentylamino)quinoline-3-carbonitrile
SMILESCC(C)CCCNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C16H19N3/c1-12(2)6-5-9-18-16-13(10-17)11-19-15-8-4-3-7-14(15)16/h3-4,7-8,11-12H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyKEVXGSFXXUMZRY-UHFFFAOYSA-N
XLogP3.95
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
CID 104594174
4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile
CID 64541518
4-(5-methylhexylamino)cinnoline-3-carbonitrile
CID 79002738
3-[(3-cyanoquinolin-4-yl)amino]propanamide
CID 43669033
4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
CID 61463091
4-[2-(1-methylpyrazol-4-yl)ethylamino]quinoline-3-carbonitrile
CID 80684252
4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile
CID 103703002
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-(4-methylpentylamino)quinoline-3-carbonitrile (CID 61038828) is 4-(4-methylpentylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-methylpentylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-methylpentylamino)quinoline-3-carbonitrile is CC(C)CCCNc1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-(4-methylpentylamino)quinoline-3-carbonitrile?
The InChIKey is KEVXGSFXXUMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12(2)6-5-9-18-16-13(10-17)11-19-15-8-4-3-7-14(15)16/h3-4,7-8,11-12H,5-6,9H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-methylpentylamino)quinoline-3-carbonitrile?
4-(4-methylpentylamino)quinoline-3-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 61038828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).