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

C14H18N4 — CID 113359410

IUPAC4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
SMILESCN1CCC(Nc2c(N)cnc3ccccc23)C1
InChIInChI=1S/C14H18N4/c1-18-7-6-10(9-18)17-14-11-4-2-3-5-13(11)16-8-12(14)15/h2-5,8,10H,6-7,9,15H2,1H3,(H,16,17)
InChIKeyZJNZCCAVJGVFFZ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.93
Rot. Bonds2

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

4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine (PubChem CID 113359410) 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-3,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
PubChem CID113359410
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
SMILESCN1CCC(Nc2c(N)cnc3ccccc23)C1
InChIInChI=1S/C14H18N4/c1-18-7-6-10(9-18)17-14-11-4-2-3-5-13(11)16-8-12(14)15/h2-5,8,10H,6-7,9,15H2,1H3,(H,16,17)
InChIKeyZJNZCCAVJGVFFZ-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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine (CID 113359410) is 4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine is CN1CCC(Nc2c(N)cnc3ccccc23)C1.
What is the InChIKey of 4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine?
The InChIKey is ZJNZCCAVJGVFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-18-7-6-10(9-18)17-14-11-4-2-3-5-13(11)16-8-12(14)15/h2-5,8,10H,6-7,9,15H2,1H3,(H,16,17).
What are the key properties of 4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine?
4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-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-3,4-diamine is sourced from PubChem (CID 113359410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).