methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride

C11H12ClNO2 — CID 141352867

IUPACmethyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride
SMILESCOC(=O)C1C=Cc2ccccc2N1.Cl
InChIInChI=1S/C11H11NO2.ClH/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10;/h2-7,10,12H,1H3;1H
InChIKeyQUFIGEHLABNGQE-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.09
Rot. Bonds1

About methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride

methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride (PubChem CID 141352867) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride
PubChem CID141352867
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Namemethyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride
SMILESCOC(=O)C1C=Cc2ccccc2N1.Cl
InChIInChI=1S/C11H11NO2.ClH/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10;/h2-7,10,12H,1H3;1H
InChIKeyQUFIGEHLABNGQE-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1,2-dihydroquinoxaline-2-carboxylate
CID 141421271
2-propan-2-yl-1,2-dihydroquinoline
CID 126659011
2-(1,2-dihydroquinolin-2-yl)ethanol
CID 68887406
2-O-tert-butyl 3-O-methyl 1,2-dihydroquinoline-2,3-dicarboxylate
CID 152576853
methyl 7-fluoro-1H-indene-1-carboxylate
CID 175481082
1,2-dihydroquinolin-2-ylmethyl(trimethyl)silane
CID 11115651
ethane;methyl 4-(benzo[b][1]benzazepin-11-ylmethyl)benzoate;2-methyl-1,2-dihydroquinoline;propane
CID 143666516
methyl 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
CID 90362386
methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 67722375
methyl (1S)-3-oxo-1,2-dihydroisoindole-1-carboxylate
CID 97359010
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
methyl 4-oxo-1,2,3,5-tetrahydro-1-benzazepine-5-carboxylate
CID 84684559

Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride (CID 141352867) is methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride is COC(=O)C1C=Cc2ccccc2N1.Cl.
What is the InChIKey of methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride?
The InChIKey is QUFIGEHLABNGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.ClH/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10;/h2-7,10,12H,1H3;1H.
What are the key properties of methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride?
methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride is sourced from PubChem (CID 141352867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).