6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine

C16H23N3O — CID 63180515

IUPAC6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine
SMILESCCN(CC)c1ccc2nc(COC)cc(NC)c2c1
InChIInChI=1S/C16H23N3O/c1-5-19(6-2)13-7-8-15-14(10-13)16(17-3)9-12(18-15)11-20-4/h7-10H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyJLBVTIYNAOFZBC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.27
Rot. Bonds6

About 6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine

6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine (PubChem CID 63180515) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine.

Molecular Properties

Compound Name6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine
PubChem CID63180515
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine
SMILESCCN(CC)c1ccc2nc(COC)cc(NC)c2c1
InChIInChI=1S/C16H23N3O/c1-5-19(6-2)13-7-8-15-14(10-13)16(17-3)9-12(18-15)11-20-4/h7-10H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyJLBVTIYNAOFZBC-UHFFFAOYSA-N
XLogP3.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine?
The IUPAC name of 6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine (CID 63180515) is 6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine.
What is the SMILES notation for 6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine?
The canonical SMILES for 6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine is CCN(CC)c1ccc2nc(COC)cc(NC)c2c1.
What is the InChIKey of 6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine?
The InChIKey is JLBVTIYNAOFZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-19(6-2)13-7-8-15-14(10-13)16(17-3)9-12(18-15)11-20-4/h7-10H,5-6,11H2,1-4H3,(H,17,18).
What are the key properties of 6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine?
6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine has a molecular weight of 273.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-diethyl-2-(methoxymethyl)-4-N-methylquinoline-4,6-diamine is sourced from PubChem (CID 63180515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).