2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine

C16H22N2O — CID 55062350

IUPAC2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2c(C)c(C)ccc12
InChIInChI=1S/C16H22N2O/c1-5-8-17-15-9-13(10-19-4)18-16-12(3)11(2)6-7-14(15)16/h6-7,9H,5,8,10H2,1-4H3,(H,17,18)
InChIKeyMDXQPAPSFKZREC-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.82
Rot. Bonds5

About 2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine

2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine (PubChem CID 55062350) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine
PubChem CID55062350
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2c(C)c(C)ccc12
InChIInChI=1S/C16H22N2O/c1-5-8-17-15-9-13(10-19-4)18-16-12(3)11(2)6-7-14(15)16/h6-7,9H,5,8,10H2,1-4H3,(H,17,18)
InChIKeyMDXQPAPSFKZREC-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine?
The IUPAC name of 2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine (CID 55062350) is 2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine is CCCNc1cc(COC)nc2c(C)c(C)ccc12.
What is the InChIKey of 2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine?
The InChIKey is MDXQPAPSFKZREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-8-17-15-9-13(10-19-4)18-16-12(3)11(2)6-7-14(15)16/h6-7,9H,5,8,10H2,1-4H3,(H,17,18).
What are the key properties of 2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine?
2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine has a molecular weight of 258.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 55062350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).