3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine

C15H20N2O — CID 82576819

IUPAC3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2c(C)cc(CC(C)CN)nc2c1
InChIInChI=1S/C15H20N2O/c1-10(9-16)6-12-7-11(2)14-5-4-13(18-3)8-15(14)17-12/h4-5,7-8,10H,6,9,16H2,1-3H3
InChIKeyDKAQKPRQSPNAKF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.69
Rot. Bonds4

About 3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine

3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine (PubChem CID 82576819) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine
PubChem CID82576819
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2c(C)cc(CC(C)CN)nc2c1
InChIInChI=1S/C15H20N2O/c1-10(9-16)6-12-7-11(2)14-5-4-13(18-3)8-15(14)17-12/h4-5,7-8,10H,6,9,16H2,1-3H3
InChIKeyDKAQKPRQSPNAKF-UHFFFAOYSA-N
XLogP2.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-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 3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine (CID 82576819) is 3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine is COc1ccc2c(C)cc(CC(C)CN)nc2c1.
What is the InChIKey of 3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine?
The InChIKey is DKAQKPRQSPNAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(9-16)6-12-7-11(2)14-5-4-13(18-3)8-15(14)17-12/h4-5,7-8,10H,6,9,16H2,1-3H3.
What are the key properties of 3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine?
3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82576819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).