4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine

C14H18N4 — CID 83061261

IUPAC4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine
SMILESCN1CCC(Nc2ccnc3c(N)cccc23)C1
InChIInChI=1S/C14H18N4/c1-18-8-6-10(9-18)17-13-5-7-16-14-11(13)3-2-4-12(14)15/h2-5,7,10H,6,8-9,15H2,1H3,(H,16,17)
InChIKeyCMAWDGJXQQFEII-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.93
Rot. Bonds2

About 4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine

4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine (PubChem CID 83061261) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine
PubChem CID83061261
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine
SMILESCN1CCC(Nc2ccnc3c(N)cccc23)C1
InChIInChI=1S/C14H18N4/c1-18-8-6-10(9-18)17-13-5-7-16-14-11(13)3-2-4-12(14)15/h2-5,7,10H,6,8-9,15H2,1H3,(H,16,17)
InChIKeyCMAWDGJXQQFEII-UHFFFAOYSA-N
XLogP1.93
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.93
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-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine (CID 83061261) is 4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine is CN1CCC(Nc2ccnc3c(N)cccc23)C1.
What is the InChIKey of 4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine?
The InChIKey is CMAWDGJXQQFEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-18-8-6-10(9-18)17-13-5-7-16-14-11(13)3-2-4-12(14)15/h2-5,7,10H,6,8-9,15H2,1H3,(H,16,17).
What are the key properties of 4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine?
4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine has a molecular weight of 242.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine is sourced from PubChem (CID 83061261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).