3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine

C16H22N2O2 — CID 62188180

IUPAC3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine
SMILESCCC(C)OCc1cc2ccc(OC)cc2nc1NC
InChIInChI=1S/C16H22N2O2/c1-5-11(2)20-10-13-8-12-6-7-14(19-4)9-15(12)18-16(13)17-3/h6-9,11H,5,10H2,1-4H3,(H,17,18)
InChIKeyMZFHHIRPDBQAFU-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.60
Rot. Bonds6

About 3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine

3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine (PubChem CID 62188180) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine
PubChem CID62188180
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine
SMILESCCC(C)OCc1cc2ccc(OC)cc2nc1NC
InChIInChI=1S/C16H22N2O2/c1-5-11(2)20-10-13-8-12-6-7-14(19-4)9-15(12)18-16(13)17-3/h6-9,11H,5,10H2,1-4H3,(H,17,18)
InChIKeyMZFHHIRPDBQAFU-UHFFFAOYSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine?
The IUPAC name of 3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine (CID 62188180) is 3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine.
What is the SMILES notation for 3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine?
The canonical SMILES for 3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine is CCC(C)OCc1cc2ccc(OC)cc2nc1NC.
What is the InChIKey of 3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine?
The InChIKey is MZFHHIRPDBQAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-11(2)20-10-13-8-12-6-7-14(19-4)9-15(12)18-16(13)17-3/h6-9,11H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine?
3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine has a molecular weight of 274.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine is sourced from PubChem (CID 62188180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).