methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate

C11H12FNO2 — CID 83754277

IUPACmethyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESCOC(=O)C1CCNc2cc(F)ccc21
InChIInChI=1S/C11H12FNO2/c1-15-11(14)9-4-5-13-10-6-7(12)2-3-8(9)10/h2-3,6,9,13H,4-5H2,1H3
InChIKeyWHHRAJGVSNIOTL-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.90
Rot. Bonds1

About methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate

methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate (PubChem CID 83754277) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
PubChem CID83754277
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Namemethyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESCOC(=O)C1CCNc2cc(F)ccc21
InChIInChI=1S/C11H12FNO2/c1-15-11(14)9-4-5-13-10-6-7(12)2-3-8(9)10/h2-3,6,9,13H,4-5H2,1H3
InChIKeyWHHRAJGVSNIOTL-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-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

Related Compounds

methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 83756205
methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
CID 14986536
(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 95240605
7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 54594245
methyl 6-(2-oxopropyl)-1,2,3,4-tetrahydroquinoline-4-carboxylate;6-(2-oxopropyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 162200926
8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718205
(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598164
methyl 2-[(2S)-azetidin-2-yl]-5-fluorobenzoate
CID 131550925
tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 105489446
methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 115033822

Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The IUPAC name of methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate (CID 83754277) is methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate.
What is the SMILES notation for methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The canonical SMILES for methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate is COC(=O)C1CCNc2cc(F)ccc21.
What is the InChIKey of methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The InChIKey is WHHRAJGVSNIOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-15-11(14)9-4-5-13-10-6-7(12)2-3-8(9)10/h2-3,6,9,13H,4-5H2,1H3.
What are the key properties of methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate has a molecular weight of 209.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate is sourced from PubChem (CID 83754277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).