4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid

C15H17NO3 — CID 84637695

IUPAC4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)n(C)c2c(C)cc(C)cc12
InChIInChI=1S/C15H17NO3/c1-5-10-11-7-8(2)6-9(3)13(11)16(4)14(17)12(10)15(18)19/h6-7H,5H2,1-4H3,(H,18,19)
InChIKeyINLNSXLGYHCYFL-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.42
Rot. Bonds2

About 4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid

4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid (PubChem CID 84637695) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid
PubChem CID84637695
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)n(C)c2c(C)cc(C)cc12
InChIInChI=1S/C15H17NO3/c1-5-10-11-7-8(2)6-9(3)13(11)16(4)14(17)12(10)15(18)19/h6-7H,5H2,1-4H3,(H,18,19)
InChIKeyINLNSXLGYHCYFL-UHFFFAOYSA-N
XLogP2.42
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84631832
4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid
CID 84633403
2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid
CID 84639296
4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid
CID 82123884
2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid
CID 84643491
1,3,8-trimethyl-2-oxoquinoline-4-carboxylic acid
CID 165484673
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
3-oxo-3-(1,2,5,7-tetramethylindol-3-yl)propanenitrile
CID 84741263
3-ethyl-1,5,7-trimethylindole
CID 165358594
1,4-diethylnaphthalene-2,3-dicarboxylic acid
CID 19961477
2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid
CID 66487510
5-ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 175800434

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid (CID 84637695) is 4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid is CCc1c(C(=O)O)c(=O)n(C)c2c(C)cc(C)cc12.
What is the InChIKey of 4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid?
The InChIKey is INLNSXLGYHCYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-5-10-11-7-8(2)6-9(3)13(11)16(4)14(17)12(10)15(18)19/h6-7H,5H2,1-4H3,(H,18,19).
What are the key properties of 4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid?
4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,6,8-trimethyl-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 84637695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).