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

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Related Compounds

methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 125044320
methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 83756205
7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83833649
N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 143284729
methyl 5-chloro-1-formyl-2,3-dihydroindole-3-carboxylate
CID 101231670
methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83843214
(2S,4S)-7-chloro-4-methoxycarbonyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 15168466
methyl 1-methyl-2,3-dioxopiperidine-4-carboxylate
CID 117273473
methyl 8-chloro-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepine-4-carboxylate
CID 12646133
methyl 6-chloro-5-(3-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 20528140
methyl (4S)-1-[1-(4-chlorophenyl)pyrazole-4-carbonyl]-3,4-dihydro-2H-quinoline-4-carboxylate
CID 99629302
methyl 1-[1-(4-chlorophenyl)pyrazole-4-carbonyl]-3,4-dihydro-2H-quinoline-4-carboxylate
CID 119033594

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).