7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine

C17H24N2O2 — CID 62193913

IUPAC7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine
SMILESCCCNc1nc2cc(OC)ccc2cc1COC(C)C
InChIInChI=1S/C17H24N2O2/c1-5-8-18-17-14(11-21-12(2)3)9-13-6-7-15(20-4)10-16(13)19-17/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,18,19)
InChIKeyKKBDTIQJLPBAOD-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.99
Rot. Bonds7

About 7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine

7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine (PubChem CID 62193913) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine
PubChem CID62193913
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine
SMILESCCCNc1nc2cc(OC)ccc2cc1COC(C)C
InChIInChI=1S/C17H24N2O2/c1-5-8-18-17-14(11-21-12(2)3)9-13-6-7-15(20-4)10-16(13)19-17/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,18,19)
InChIKeyKKBDTIQJLPBAOD-UHFFFAOYSA-N
XLogP3.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine?
The IUPAC name of 7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine (CID 62193913) is 7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine.
What is the SMILES notation for 7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine?
The canonical SMILES for 7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine is CCCNc1nc2cc(OC)ccc2cc1COC(C)C.
What is the InChIKey of 7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine?
The InChIKey is KKBDTIQJLPBAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-8-18-17-14(11-21-12(2)3)9-13-6-7-15(20-4)10-16(13)19-17/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,18,19).
What are the key properties of 7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine?
7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine is sourced from PubChem (CID 62193913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).