8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline

C13H19NO — CID 4266080

IUPAC8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
SMILESCOc1cccc2c1NC(C)(C)CC2C
InChIInChI=1S/C13H19NO/c1-9-8-13(2,3)14-12-10(9)6-5-7-11(12)15-4/h5-7,9,14H,8H2,1-4H3
InChIKeyVRGWTUYPGVAHGX-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.39
Rot. Bonds1

About 8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline

8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline (PubChem CID 4266080) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
PubChem CID4266080
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
SMILESCOc1cccc2c1NC(C)(C)CC2C
InChIInChI=1S/C13H19NO/c1-9-8-13(2,3)14-12-10(9)6-5-7-11(12)15-4/h5-7,9,14H,8H2,1-4H3
InChIKeyVRGWTUYPGVAHGX-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methoxy-2,2,4-trimethyl-3,4-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline (CID 4266080) is 8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline is COc1cccc2c1NC(C)(C)CC2C.
What is the InChIKey of 8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
The InChIKey is VRGWTUYPGVAHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-8-13(2,3)14-12-10(9)6-5-7-11(12)15-4/h5-7,9,14H,8H2,1-4H3.
What are the key properties of 8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline has a molecular weight of 205.30 g/mol, XLogP of 3.39, 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-dihydro-1H-quinoline is sourced from PubChem (CID 4266080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).