4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine

C17H24N4 — CID 83066031

IUPAC4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine
SMILESCC(CNc1ccnc2c(N)cccc12)CN1CCCC1
InChIInChI=1S/C17H24N4/c1-13(12-21-9-2-3-10-21)11-20-16-7-8-19-17-14(16)5-4-6-15(17)18/h4-8,13H,2-3,9-12,18H2,1H3,(H,19,20)
InChIKeyHVORCGJRKVCRCL-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.96
Rot. Bonds5

About 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine

4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine (PubChem CID 83066031) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine
PubChem CID83066031
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine
SMILESCC(CNc1ccnc2c(N)cccc12)CN1CCCC1
InChIInChI=1S/C17H24N4/c1-13(12-21-9-2-3-10-21)11-20-16-7-8-19-17-14(16)5-4-6-15(17)18/h4-8,13H,2-3,9-12,18H2,1H3,(H,19,20)
InChIKeyHVORCGJRKVCRCL-UHFFFAOYSA-N
XLogP2.96
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine (CID 83066031) is 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine is CC(CNc1ccnc2c(N)cccc12)CN1CCCC1.
What is the InChIKey of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine?
The InChIKey is HVORCGJRKVCRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13(12-21-9-2-3-10-21)11-20-16-7-8-19-17-14(16)5-4-6-15(17)18/h4-8,13H,2-3,9-12,18H2,1H3,(H,19,20).
What are the key properties of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine?
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine is sourced from PubChem (CID 83066031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).