methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate

C13H17NO2 — CID 115031360

IUPACmethyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate
SMILESCOC(=O)C1CCc2cc(C)ccc2N1C
InChIInChI=1S/C13H17NO2/c1-9-4-6-11-10(8-9)5-7-12(14(11)2)13(15)16-3/h4,6,8,12H,5,7H2,1-3H3
InChIKeyNDFHWFSEFUXXBP-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.92
Rot. Bonds1

About methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate

methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate (PubChem CID 115031360) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate
PubChem CID115031360
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate
SMILESCOC(=O)C1CCc2cc(C)ccc2N1C
InChIInChI=1S/C13H17NO2/c1-9-4-6-11-10(8-9)5-7-12(14(11)2)13(15)16-3/h4,6,8,12H,5,7H2,1-3H3
InChIKeyNDFHWFSEFUXXBP-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,6-trimethyl-3,4-dihydro-2H-quinoline
CID 142003653
methyl 1-(2,4-dimethylphenyl)aziridine-2-carboxylate
CID 117009891
methyl 6-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 54194488
1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate
CID 19039847
1-(2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 162374357
6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84623301
methyl 1-(2-cyano-4-methylphenyl)piperidine-2-carboxylate
CID 107927702
methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate
CID 47006349
methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 11492698
methyl 1-(2-cyano-5-methylphenyl)piperidine-2-carboxylate
CID 115534548
methyl (3S)-2-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydrobenzo[h][2]benzazepine-3-carboxylate
CID 25213447
methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate
CID 115537925

Frequently Asked Questions

What is the IUPAC name of methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate?
The IUPAC name of methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate (CID 115031360) is methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate?
The canonical SMILES for methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate is COC(=O)C1CCc2cc(C)ccc2N1C.
What is the InChIKey of methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate?
The InChIKey is NDFHWFSEFUXXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-4-6-11-10(8-9)5-7-12(14(11)2)13(15)16-3/h4,6,8,12H,5,7H2,1-3H3.
What are the key properties of methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate?
methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate is sourced from PubChem (CID 115031360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).