1-methoxy-4-methyl-8aH-quinoline

C11H13NO — CID 143399369

IUPAC1-methoxy-4-methyl-8aH-quinoline
SMILESCON1C=CC(C)=C2C=CC=CC21
InChIInChI=1S/C11H13NO/c1-9-7-8-12(13-2)11-6-4-3-5-10(9)11/h3-8,11H,1-2H3
InChIKeyZYHQMROBCPXDET-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.19
Rot. Bonds1

About 1-methoxy-4-methyl-8aH-quinoline

1-methoxy-4-methyl-8aH-quinoline (PubChem CID 143399369) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-methoxy-4-methyl-8aH-quinoline.

Molecular Properties

Compound Name1-methoxy-4-methyl-8aH-quinoline
PubChem CID143399369
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-methoxy-4-methyl-8aH-quinoline
SMILESCON1C=CC(C)=C2C=CC=CC21
InChIInChI=1S/C11H13NO/c1-9-7-8-12(13-2)11-6-4-3-5-10(9)11/h3-8,11H,1-2H3
InChIKeyZYHQMROBCPXDET-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-4-methyl-8aH-quinoline 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 1-methoxy-4-methyl-8aH-quinoline?
The IUPAC name of 1-methoxy-4-methyl-8aH-quinoline (CID 143399369) is 1-methoxy-4-methyl-8aH-quinoline.
What is the SMILES notation for 1-methoxy-4-methyl-8aH-quinoline?
The canonical SMILES for 1-methoxy-4-methyl-8aH-quinoline is CON1C=CC(C)=C2C=CC=CC21.
What is the InChIKey of 1-methoxy-4-methyl-8aH-quinoline?
The InChIKey is ZYHQMROBCPXDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-7-8-12(13-2)11-6-4-3-5-10(9)11/h3-8,11H,1-2H3.
What are the key properties of 1-methoxy-4-methyl-8aH-quinoline?
1-methoxy-4-methyl-8aH-quinoline has a molecular weight of 175.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-8aH-quinoline is sourced from PubChem (CID 143399369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).