8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid

C15H17NO3 — CID 84637722

IUPAC8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
SMILESCCc1cccc2c(C(C)C)c(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C15H17NO3/c1-4-9-6-5-7-10-11(8(2)3)12(15(18)19)14(17)16-13(9)10/h5-8H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFVEQWYCWOUJJCE-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.91
Rot. Bonds3

About 8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid

8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid (PubChem CID 84637722) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
PubChem CID84637722
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
SMILESCCc1cccc2c(C(C)C)c(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C15H17NO3/c1-4-9-6-5-7-10-11(8(2)3)12(15(18)19)14(17)16-13(9)10/h5-8H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFVEQWYCWOUJJCE-UHFFFAOYSA-N
XLogP2.91
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
8-ethyl-2-propan-2-yl-1H-quinolin-4-one
CID 43668106
2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid
CID 83859664
7-methyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
CID 84631846
1-(3,7-diethyl-1H-indol-2-yl)ethanone
CID 21239672
8-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588827
2,6-diethylbenzoic acid;molecular nitrogen
CID 70486014
3-(2-aminoethyl)-7-ethyl-1H-indole-2-carboxylic acid
CID 84740939
8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84642958
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
(E)-3-(7-ethyl-2-methyl-1H-indol-3-yl)but-2-enoic acid
CID 82279146
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid (CID 84637722) is 8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid is CCc1cccc2c(C(C)C)c(C(=O)O)c(=O)[nH]c12.
What is the InChIKey of 8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid?
The InChIKey is FVEQWYCWOUJJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-9-6-5-7-10-11(8(2)3)12(15(18)19)14(17)16-13(9)10/h5-8H,4H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid?
8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 84637722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).