6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid

C13H17NO2 — CID 84623301

IUPAC6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESCCc1ccc2c(c1)CCC(C(=O)O)N2C
InChIInChI=1S/C13H17NO2/c1-3-9-4-6-11-10(8-9)5-7-12(13(15)16)14(11)2/h4,6,8,12H,3,5,7H2,1-2H3,(H,15,16)
InChIKeyKQXQFIYAPSZOQH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.08
Rot. Bonds2

About 6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid

6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid (PubChem CID 84623301) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
PubChem CID84623301
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESCCc1ccc2c(c1)CCC(C(=O)O)N2C
InChIInChI=1S/C13H17NO2/c1-3-9-4-6-11-10(8-9)5-7-12(13(15)16)14(11)2/h4,6,8,12H,3,5,7H2,1-2H3,(H,15,16)
InChIKeyKQXQFIYAPSZOQH-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-ethyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84623138
2-cyclopropyl-6-ethyl-1-methyl-3,4-dihydro-2H-quinoline
CID 146650258
2-amino-2-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)acetic acid
CID 83860991
1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354763
methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 115031360
(2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline
CID 144701726
1-(5-ethyl-1-methyl-2,3-dihydroindol-2-yl)-N-methylmethanamine
CID 83860788
1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid
CID 134499367
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209
6-(2,2-dimethylpropyl)-1-methyl-3,4-dihydro-2H-quinolin-2-ol
CID 90825830
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
7-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 131874314

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The IUPAC name of 6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid (CID 84623301) is 6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The canonical SMILES for 6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid is CCc1ccc2c(c1)CCC(C(=O)O)N2C.
What is the InChIKey of 6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The InChIKey is KQXQFIYAPSZOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-9-4-6-11-10(8-9)5-7-12(13(15)16)14(11)2/h4,6,8,12H,3,5,7H2,1-2H3,(H,15,16).
What are the key properties of 6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid is sourced from PubChem (CID 84623301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).