5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine

C16H22N4 — CID 62991925

IUPAC5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCCN2CCCC2)c2cccnc12
InChIInChI=1S/C16H22N4/c17-14-6-7-15(13-5-3-8-19-16(13)14)18-9-4-12-20-10-1-2-11-20/h3,5-8,18H,1-2,4,9-12,17H2
InChIKeyQNTUZRLYLYMGJF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.71
Rot. Bonds5

About 5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine

5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine (PubChem CID 62991925) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
PubChem CID62991925
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCCN2CCCC2)c2cccnc12
InChIInChI=1S/C16H22N4/c17-14-6-7-15(13-5-3-8-19-16(13)14)18-9-4-12-20-10-1-2-11-20/h3,5-8,18H,1-2,4,9-12,17H2
InChIKeyQNTUZRLYLYMGJF-UHFFFAOYSA-N
XLogP2.71
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
CID 43449552
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 60667125
5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 72861388
8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine
CID 43450147
3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141173
[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
CID 115358035

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine (CID 62991925) is 5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine is Nc1ccc(NCCCN2CCCC2)c2cccnc12.
What is the InChIKey of 5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine?
The InChIKey is QNTUZRLYLYMGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-14-6-7-15(13-5-3-8-19-16(13)14)18-9-4-12-20-10-1-2-11-20/h3,5-8,18H,1-2,4,9-12,17H2.
What are the key properties of 5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine?
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine is sourced from PubChem (CID 62991925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).