1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid

C15H21NO2 — CID 133202959

IUPAC1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid
SMILESCCN1c2ccc(C(=O)O)cc2C(C)CC1(C)C
InChIInChI=1S/C15H21NO2/c1-5-16-13-7-6-11(14(17)18)8-12(13)10(2)9-15(16,3)4/h6-8,10H,5,9H2,1-4H3,(H,17,18)
InChIKeyDSCVDSXCLXIUNV-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.50
Rot. Bonds2

About 1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid

1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 133202959) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID133202959
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid
SMILESCCN1c2ccc(C(=O)O)cc2C(C)CC1(C)C
InChIInChI=1S/C15H21NO2/c1-5-16-13-7-6-11(14(17)18)8-12(13)10(2)9-15(16,3)4/h6-8,10H,5,9H2,1-4H3,(H,17,18)
InChIKeyDSCVDSXCLXIUNV-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 66490899
N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine
CID 124832377
N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860149
N-[(Z)-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 124648953
(E)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-2-phenylprop-2-enenitrile
CID 50860330
1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid
CID 20744133
3-bromo-N-[(E)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170363
N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-hydroxybenzamide
CID 133170391
(4Z)-4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 50860347
N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-4-hydroxybenzamide
CID 124649236
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860573
(4S)-4-methyl-3,4-dihydro-2H-quinoline-1,6-dicarboxylic acid
CID 135388233

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid (CID 133202959) is 1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid is CCN1c2ccc(C(=O)O)cc2C(C)CC1(C)C.
What is the InChIKey of 1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is DSCVDSXCLXIUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-16-13-7-6-11(14(17)18)8-12(13)10(2)9-15(16,3)4/h6-8,10H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid?
1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 133202959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).