methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate

C12H14ClNO2 — CID 170903361

IUPACmethyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
SMILESCOC(=O)C1CCN(C)c2cc(Cl)ccc21
InChIInChI=1S/C12H14ClNO2/c1-14-6-5-10(12(15)16-2)9-4-3-8(13)7-11(9)14/h3-4,7,10H,5-6H2,1-2H3
InChIKeyGCFWGNYZBXLXOP-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.44
Rot. Bonds1

About methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate

methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate (PubChem CID 170903361) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
PubChem CID170903361
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Namemethyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
SMILESCOC(=O)C1CCN(C)c2cc(Cl)ccc21
InChIInChI=1S/C12H14ClNO2/c1-14-6-5-10(12(15)16-2)9-4-3-8(13)7-11(9)14/h3-4,7,10H,5-6H2,1-2H3
InChIKeyGCFWGNYZBXLXOP-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-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 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
The IUPAC name of methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate (CID 170903361) is methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate.
What is the SMILES notation for methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
The canonical SMILES for methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate is COC(=O)C1CCN(C)c2cc(Cl)ccc21.
What is the InChIKey of methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
The InChIKey is GCFWGNYZBXLXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-14-6-5-10(12(15)16-2)9-4-3-8(13)7-11(9)14/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate has a molecular weight of 239.70 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate is sourced from PubChem (CID 170903361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).