3-ethyl-8-methoxy-2-methylquinolin-4-amine

C13H16N2O — CID 62203733

IUPAC3-ethyl-8-methoxy-2-methylquinolin-4-amine
SMILESCCc1c(C)nc2c(OC)cccc2c1N
InChIInChI=1S/C13H16N2O/c1-4-9-8(2)15-13-10(12(9)14)6-5-7-11(13)16-3/h5-7H,4H2,1-3H3,(H2,14,15)
InChIKeyKOBKAINKKSVYCS-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.70
Rot. Bonds2

About 3-ethyl-8-methoxy-2-methylquinolin-4-amine

3-ethyl-8-methoxy-2-methylquinolin-4-amine (PubChem CID 62203733) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-ethyl-8-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound Name3-ethyl-8-methoxy-2-methylquinolin-4-amine
PubChem CID62203733
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-ethyl-8-methoxy-2-methylquinolin-4-amine
SMILESCCc1c(C)nc2c(OC)cccc2c1N
InChIInChI=1S/C13H16N2O/c1-4-9-8(2)15-13-10(12(9)14)6-5-7-11(13)16-3/h5-7H,4H2,1-3H3,(H2,14,15)
InChIKeyKOBKAINKKSVYCS-UHFFFAOYSA-N
XLogP2.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methoxy-2-methylquinolin-4-amine?
The IUPAC name of 3-ethyl-8-methoxy-2-methylquinolin-4-amine (CID 62203733) is 3-ethyl-8-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for 3-ethyl-8-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for 3-ethyl-8-methoxy-2-methylquinolin-4-amine is CCc1c(C)nc2c(OC)cccc2c1N.
What is the InChIKey of 3-ethyl-8-methoxy-2-methylquinolin-4-amine?
The InChIKey is KOBKAINKKSVYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-9-8(2)15-13-10(12(9)14)6-5-7-11(13)16-3/h5-7H,4H2,1-3H3,(H2,14,15).
What are the key properties of 3-ethyl-8-methoxy-2-methylquinolin-4-amine?
3-ethyl-8-methoxy-2-methylquinolin-4-amine has a molecular weight of 216.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 62203733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).