N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine

C16H22N2O2 — CID 63684590

IUPACN-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine
SMILESCCCOCCOCc1cc2ccccc2nc1NC
InChIInChI=1S/C16H22N2O2/c1-3-8-19-9-10-20-12-14-11-13-6-4-5-7-15(13)18-16(14)17-2/h4-7,11H,3,8-10,12H2,1-2H3,(H,17,18)
InChIKeyCHHMZANZAVVNTM-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.22
Rot. Bonds8

About N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine

N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine (PubChem CID 63684590) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine
PubChem CID63684590
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine
SMILESCCCOCCOCc1cc2ccccc2nc1NC
InChIInChI=1S/C16H22N2O2/c1-3-8-19-9-10-20-12-14-11-13-6-4-5-7-15(13)18-16(14)17-2/h4-7,11H,3,8-10,12H2,1-2H3,(H,17,18)
InChIKeyCHHMZANZAVVNTM-UHFFFAOYSA-N
XLogP3.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine?
The IUPAC name of N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine (CID 63684590) is N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine.
What is the SMILES notation for N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine?
The canonical SMILES for N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine is CCCOCCOCc1cc2ccccc2nc1NC.
What is the InChIKey of N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine?
The InChIKey is CHHMZANZAVVNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-8-19-9-10-20-12-14-11-13-6-4-5-7-15(13)18-16(14)17-2/h4-7,11H,3,8-10,12H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine?
N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine has a molecular weight of 274.36 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine is sourced from PubChem (CID 63684590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).