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

C15H20N4 — CID 123804895

IUPAC6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
SMILESCc1ccc2ncc(N)c(NC3CCN(C)C3)c2c1
InChIInChI=1S/C15H20N4/c1-10-3-4-14-12(7-10)15(13(16)8-17-14)18-11-5-6-19(2)9-11/h3-4,7-8,11H,5-6,9,16H2,1-2H3,(H,17,18)
InChIKeyWONUEBSUTUQGLC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.24
Rot. Bonds2

About 6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine

6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine (PubChem CID 123804895) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
PubChem CID123804895
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
SMILESCc1ccc2ncc(N)c(NC3CCN(C)C3)c2c1
InChIInChI=1S/C15H20N4/c1-10-3-4-14-12(7-10)15(13(16)8-17-14)18-11-5-6-19(2)9-11/h3-4,7-8,11H,5-6,9,16H2,1-2H3,(H,17,18)
InChIKeyWONUEBSUTUQGLC-UHFFFAOYSA-N
XLogP2.24
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine?
The IUPAC name of 6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine (CID 123804895) is 6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine?
The canonical SMILES for 6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine is Cc1ccc2ncc(N)c(NC3CCN(C)C3)c2c1.
What is the InChIKey of 6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine?
The InChIKey is WONUEBSUTUQGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-3-4-14-12(7-10)15(13(16)8-17-14)18-11-5-6-19(2)9-11/h3-4,7-8,11H,5-6,9,16H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine?
6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine is sourced from PubChem (CID 123804895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).