6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine

C16H22N2O — CID 55062783

IUPAC6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2ccc(CC)cc12
InChIInChI=1S/C16H22N2O/c1-4-8-17-16-10-13(11-19-3)18-15-7-6-12(5-2)9-14(15)16/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,17,18)
InChIKeyVLSCHTJNDVUSMH-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.77
Rot. Bonds6

About 6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine

6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine (PubChem CID 55062783) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine
PubChem CID55062783
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2ccc(CC)cc12
InChIInChI=1S/C16H22N2O/c1-4-8-17-16-10-13(11-19-3)18-15-7-6-12(5-2)9-14(15)16/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,17,18)
InChIKeyVLSCHTJNDVUSMH-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine?
The IUPAC name of 6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine (CID 55062783) is 6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine.
What is the SMILES notation for 6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine?
The canonical SMILES for 6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine is CCCNc1cc(COC)nc2ccc(CC)cc12.
What is the InChIKey of 6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine?
The InChIKey is VLSCHTJNDVUSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-8-17-16-10-13(11-19-3)18-15-7-6-12(5-2)9-14(15)16/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,17,18).
What are the key properties of 6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine?
6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine has a molecular weight of 258.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine is sourced from PubChem (CID 55062783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).