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

C12H13NO3 — CID 91060102

IUPAC6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid
SMILESCCc1ccc2c(c1)C(=O)CCN2C(=O)O
InChIInChI=1S/C12H13NO3/c1-2-8-3-4-10-9(7-8)11(14)5-6-13(10)12(15)16/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyGOERZWJRIGSXOF-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.32
Rot. Bonds1

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

6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid (PubChem CID 91060102) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid
PubChem CID91060102
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid
SMILESCCc1ccc2c(c1)C(=O)CCN2C(=O)O
InChIInChI=1S/C12H13NO3/c1-2-8-3-4-10-9(7-8)11(14)5-6-13(10)12(15)16/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyGOERZWJRIGSXOF-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid?
The IUPAC name of 6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid (CID 91060102) is 6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid.
What is the SMILES notation for 6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid?
The canonical SMILES for 6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid is CCc1ccc2c(c1)C(=O)CCN2C(=O)O.
What is the InChIKey of 6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid?
The InChIKey is GOERZWJRIGSXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-8-3-4-10-9(7-8)11(14)5-6-13(10)12(15)16/h3-4,7H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid?
6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid is sourced from PubChem (CID 91060102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).