4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine

C18H19N3 — CID 103962715

IUPAC4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine
SMILESCCN(c1ccccc1C)c1c(N)cnc2ccccc12
InChIInChI=1S/C18H19N3/c1-3-21(17-11-7-4-8-13(17)2)18-14-9-5-6-10-16(14)20-12-15(18)19/h4-12H,3,19H2,1-2H3
InChIKeyXTIHQZQDFXVFLN-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.28
Rot. Bonds3

About 4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine

4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine (PubChem CID 103962715) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine
PubChem CID103962715
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine
SMILESCCN(c1ccccc1C)c1c(N)cnc2ccccc12
InChIInChI=1S/C18H19N3/c1-3-21(17-11-7-4-8-13(17)2)18-14-9-5-6-10-16(14)20-12-15(18)19/h4-12H,3,19H2,1-2H3
InChIKeyXTIHQZQDFXVFLN-UHFFFAOYSA-N
XLogP4.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine (CID 103962715) is 4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine is CCN(c1ccccc1C)c1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine?
The InChIKey is XTIHQZQDFXVFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-21(17-11-7-4-8-13(17)2)18-14-9-5-6-10-16(14)20-12-15(18)19/h4-12H,3,19H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine?
4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine has a molecular weight of 277.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine is sourced from PubChem (CID 103962715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).