methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate

C13H15NO2 — CID 10656398

IUPACmethyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate
SMILESCOC(=O)C1=CNc2c(C)cc(C)cc2C1
InChIInChI=1S/C13H15NO2/c1-8-4-9(2)12-10(5-8)6-11(7-14-12)13(15)16-3/h4-5,7,14H,6H2,1-3H3
InChIKeyQZBUXSASZIWKRZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.33
Rot. Bonds1

About methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate

methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate (PubChem CID 10656398) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate
PubChem CID10656398
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namemethyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate
SMILESCOC(=O)C1=CNc2c(C)cc(C)cc2C1
InChIInChI=1S/C13H15NO2/c1-8-4-9(2)12-10(5-8)6-11(7-14-12)13(15)16-3/h4-5,7,14H,6H2,1-3H3
InChIKeyQZBUXSASZIWKRZ-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 6,8-dimethyl-1,4-dihydroquinoline-3-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 methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate?
The IUPAC name of methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate (CID 10656398) is methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate.
What is the SMILES notation for methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate?
The canonical SMILES for methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate is COC(=O)C1=CNc2c(C)cc(C)cc2C1.
What is the InChIKey of methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate?
The InChIKey is QZBUXSASZIWKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-4-9(2)12-10(5-8)6-11(7-14-12)13(15)16-3/h4-5,7,14H,6H2,1-3H3.
What are the key properties of methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate?
methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate has a molecular weight of 217.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,8-dimethyl-1,4-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 10656398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).