2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine

C27H30N4 — CID 57159810

IUPAC2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine
SMILESCC(C)CNc1c(N)c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C27H30N4/c1-20(2)17-29-26-23-15-9-10-16-24(23)30-27(25(26)28)31(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22/h3-16,20H,17-19,28H2,1-2H3,(H,29,30)
InChIKeyQOWUOXGDRYUYIZ-UHFFFAOYSA-N
MW410.56 g/mol
LogP6.09
Rot. Bonds8

About 2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine

2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine (PubChem CID 57159810) has the molecular formula C27H30N4 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine.

Molecular Properties

Compound Name2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine
PubChem CID57159810
Molecular FormulaC27H30N4
Molecular Weight410.56 g/mol
Exact Mass410.25
IUPAC Name2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine
SMILESCC(C)CNc1c(N)c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C27H30N4/c1-20(2)17-29-26-23-15-9-10-16-24(23)30-27(25(26)28)31(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22/h3-16,20H,17-19,28H2,1-2H3,(H,29,30)
InChIKeyQOWUOXGDRYUYIZ-UHFFFAOYSA-N
XLogP6.09
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine?
The IUPAC name of 2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine (CID 57159810) is 2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine.
What is the SMILES notation for 2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine?
The canonical SMILES for 2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine is CC(C)CNc1c(N)c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine?
The InChIKey is QOWUOXGDRYUYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4/c1-20(2)17-29-26-23-15-9-10-16-24(23)30-27(25(26)28)31(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22/h3-16,20H,17-19,28H2,1-2H3,(H,29,30).
What are the key properties of 2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine?
2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine has a molecular weight of 410.56 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibenzyl-4-N-(2-methylpropyl)quinoline-2,3,4-triamine is sourced from PubChem (CID 57159810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).