ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate

C14H19NO2 — CID 141309209

IUPACethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CCC(C)N2C
InChIInChI=1S/C14H19NO2/c1-4-17-14(16)12-7-8-13-11(9-12)6-5-10(2)15(13)3/h7-10H,4-6H2,1-3H3
InChIKeyNMQNISGKQVHOFP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.63
Rot. Bonds2

About ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate

ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate (PubChem CID 141309209) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
PubChem CID141309209
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CCC(C)N2C
InChIInChI=1S/C14H19NO2/c1-4-17-14(16)12-7-8-13-11(9-12)6-5-10(2)15(13)3/h7-10H,4-6H2,1-3H3
InChIKeyNMQNISGKQVHOFP-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate 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 ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The IUPAC name of ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate (CID 141309209) is ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate is CCOC(=O)c1ccc2c(c1)CCC(C)N2C.
What is the InChIKey of ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The InChIKey is NMQNISGKQVHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-17-14(16)12-7-8-13-11(9-12)6-5-10(2)15(13)3/h7-10H,4-6H2,1-3H3.
What are the key properties of ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate?
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate is sourced from PubChem (CID 141309209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).