1,6-dimethyl-4-oxoquinoline-3-carboxylic acid

C12H11NO3 — CID 718163

IUPAC1,6-dimethyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)c(=O)c(C(=O)O)cn2C
InChIInChI=1S/C12H11NO3/c1-7-3-4-10-8(5-7)11(14)9(12(15)16)6-13(10)2/h3-6H,1-2H3,(H,15,16)
InChIKeyBRENAYCUDGIHED-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.55
Rot. Bonds1

About 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid

1,6-dimethyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 718163) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1,6-dimethyl-4-oxoquinoline-3-carboxylic acid
PubChem CID718163
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1,6-dimethyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)c(=O)c(C(=O)O)cn2C
InChIInChI=1S/C12H11NO3/c1-7-3-4-10-8(5-7)11(14)9(12(15)16)6-13(10)2/h3-6H,1-2H3,(H,15,16)
InChIKeyBRENAYCUDGIHED-UHFFFAOYSA-N
XLogP1.55
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Flumequine
CID 3374
Pefloxacin
CID 51081
Ethyl 4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 220876
4-Hydroxy-7-trifluoromethylquinoline-3-carboxylic acid
CID 68459
Amquinate
CID 28414
Methyl 4-hydroxyquinoline-3-carboxylate
CID 279958
6-Benzyl-3-ethoxycarbonyl-4-quinolone
CID 11529633
Gnf-PF-4421
CID 684193
Ethyl 6-isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 690399
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
6-Fluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
CID 488261
4-Quinolone-3-carboxylic acid
CID 220875

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid (CID 718163) is 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid is Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2C.
What is the InChIKey of 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is BRENAYCUDGIHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-3-4-10-8(5-7)11(14)9(12(15)16)6-13(10)2/h3-6H,1-2H3,(H,15,16).
What are the key properties of 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid?
1,6-dimethyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 718163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).