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

C14H23NO — CID 70583199

IUPAC8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
SMILESCCOC1=C2NC(C)(C)CC(C)C2CC=C1
InChIInChI=1S/C14H23NO/c1-5-16-12-8-6-7-11-10(2)9-14(3,4)15-13(11)12/h6,8,10-11,15H,5,7,9H2,1-4H3
InChIKeyAVLCZWLELVCGJS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.22
Rot. Bonds2

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

8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline (PubChem CID 70583199) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
PubChem CID70583199
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
SMILESCCOC1=C2NC(C)(C)CC(C)C2CC=C1
InChIInChI=1S/C14H23NO/c1-5-16-12-8-6-7-11-10(2)9-14(3,4)15-13(11)12/h6,8,10-11,15H,5,7,9H2,1-4H3
InChIKeyAVLCZWLELVCGJS-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-ethoxy-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

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The IUPAC name of 8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline (CID 70583199) is 8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline.
What is the SMILES notation for 8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The canonical SMILES for 8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline is CCOC1=C2NC(C)(C)CC(C)C2CC=C1.
What is the InChIKey of 8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The InChIKey is AVLCZWLELVCGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-16-12-8-6-7-11-10(2)9-14(3,4)15-13(11)12/h6,8,10-11,15H,5,7,9H2,1-4H3.
What are the key properties of 8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline has a molecular weight of 221.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline is sourced from PubChem (CID 70583199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).