3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine

C25H33N3O3 — CID 70696717

IUPAC3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine
SMILESCCCN(CCC)c1cccc2nc(Nc3c(OC)cc(OC)cc3OC)c(C)cc12
InChIInChI=1S/C25H33N3O3/c1-7-12-28(13-8-2)21-11-9-10-20-19(21)14-17(3)25(26-20)27-24-22(30-5)15-18(29-4)16-23(24)31-6/h9-11,14-16H,7-8,12-13H2,1-6H3,(H,26,27)
InChIKeySFYLYLYCCGETGG-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.94
Rot. Bonds10

About 3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine

3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine (PubChem CID 70696717) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine
PubChem CID70696717
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine
SMILESCCCN(CCC)c1cccc2nc(Nc3c(OC)cc(OC)cc3OC)c(C)cc12
InChIInChI=1S/C25H33N3O3/c1-7-12-28(13-8-2)21-11-9-10-20-19(21)14-17(3)25(26-20)27-24-22(30-5)15-18(29-4)16-23(24)31-6/h9-11,14-16H,7-8,12-13H2,1-6H3,(H,26,27)
InChIKeySFYLYLYCCGETGG-UHFFFAOYSA-N
XLogP5.94
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine?
The IUPAC name of 3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine (CID 70696717) is 3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine.
What is the SMILES notation for 3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine?
The canonical SMILES for 3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine is CCCN(CCC)c1cccc2nc(Nc3c(OC)cc(OC)cc3OC)c(C)cc12.
What is the InChIKey of 3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine?
The InChIKey is SFYLYLYCCGETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-7-12-28(13-8-2)21-11-9-10-20-19(21)14-17(3)25(26-20)27-24-22(30-5)15-18(29-4)16-23(24)31-6/h9-11,14-16H,7-8,12-13H2,1-6H3,(H,26,27).
What are the key properties of 3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine?
3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine has a molecular weight of 423.56 g/mol, XLogP of 5.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N,5-N-dipropyl-2-N-(2,4,6-trimethoxyphenyl)quinoline-2,5-diamine is sourced from PubChem (CID 70696717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).