2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid

C15H17NO3 — CID 84637675

IUPAC2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid
SMILESCCc1ccc2c(c1)c(C)c(CC(=O)O)c(=O)n2C
InChIInChI=1S/C15H17NO3/c1-4-10-5-6-13-11(7-10)9(2)12(8-14(17)18)15(19)16(13)3/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyABMCUKIVNLVHJU-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.04
Rot. Bonds3

About 2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid

2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid (PubChem CID 84637675) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid
PubChem CID84637675
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid
SMILESCCc1ccc2c(c1)c(C)c(CC(=O)O)c(=O)n2C
InChIInChI=1S/C15H17NO3/c1-4-10-5-6-13-11(7-10)9(2)12(8-14(17)18)15(19)16(13)3/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyABMCUKIVNLVHJU-UHFFFAOYSA-N
XLogP2.04
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dichloroacetyl)-6-ethyl-4-hydroxy-1-methylquinolin-2-one
CID 110273242
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
CID 84623498
(E)-3-(5-ethyl-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82497374
methyl 2-(1,4-dimethyl-2-oxoquinolin-3-yl)acetate
CID 13405582
2-(6-iodo-1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82252954
5-ethyl-1-methyl-3-propan-2-ylindole-2-carboxylic acid
CID 84631918
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid
CID 45157012
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid
CID 116985962
2-[2-(4-ethylphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 5217897
2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 5212090

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid?
The IUPAC name of 2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid (CID 84637675) is 2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid is CCc1ccc2c(c1)c(C)c(CC(=O)O)c(=O)n2C.
What is the InChIKey of 2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid?
The InChIKey is ABMCUKIVNLVHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-10-5-6-13-11(7-10)9(2)12(8-14(17)18)15(19)16(13)3/h5-7H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid?
2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid has a molecular weight of 259.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid is sourced from PubChem (CID 84637675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).