8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline

C13H21NO — CID 70582353

IUPAC8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
SMILESCOC1=C2NC(C)(C)CC(C)C2CC=C1
InChIInChI=1S/C13H21NO/c1-9-8-13(2,3)14-12-10(9)6-5-7-11(12)15-4/h5,7,9-10,14H,6,8H2,1-4H3
InChIKeyKACKRNJMUXYWSH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.83
Rot. Bonds1

About 8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline

8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline (PubChem CID 70582353) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
PubChem CID70582353
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
SMILESCOC1=C2NC(C)(C)CC(C)C2CC=C1
InChIInChI=1S/C13H21NO/c1-9-8-13(2,3)14-12-10(9)6-5-7-11(12)15-4/h5,7,9-10,14H,6,8H2,1-4H3
InChIKeyKACKRNJMUXYWSH-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline with MolForge

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

Launch Full Analysis

Related Compounds

2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol
CID 67783958
7-Methoxy-1,2,2,4-tetramethyl-3,4,4a,5-tetrahydroquinoline
CID 68130929
7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
CID 70582307
5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
CID 70582409
8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
CID 70583199
1-Butyl-8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
CID 70584629
1-Butyl-8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
CID 70584769
7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
CID 70584815
8-methoxy-5-propan-2-ylidene-2,3,4,4a-tetrahydro-1H-quinoline
CID 171061793

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The IUPAC name of 8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline (CID 70582353) is 8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline.
What is the SMILES notation for 8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The canonical SMILES for 8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline is COC1=C2NC(C)(C)CC(C)C2CC=C1.
What is the InChIKey of 8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The InChIKey is KACKRNJMUXYWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-8-13(2,3)14-12-10(9)6-5-7-11(12)15-4/h5,7,9-10,14H,6,8H2,1-4H3.
What are the key properties of 8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline has a molecular weight of 207.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline is sourced from PubChem (CID 70582353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).