4-acetamido-8-fluoroquinoline-3-carboxylic acid

C12H9FN2O3 — CID 102543427

IUPAC4-acetamido-8-fluoroquinoline-3-carboxylic acid
SMILESCC(=O)Nc1c(C(=O)O)cnc2c(F)cccc12
InChIInChI=1S/C12H9FN2O3/c1-6(16)15-10-7-3-2-4-9(13)11(7)14-5-8(10)12(17)18/h2-5H,1H3,(H,17,18)(H,14,15,16)
InChIKeyULVAHRIPITZEJG-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.03
Rot. Bonds2

About 4-acetamido-8-fluoroquinoline-3-carboxylic acid

4-acetamido-8-fluoroquinoline-3-carboxylic acid (PubChem CID 102543427) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-acetamido-8-fluoroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-8-fluoroquinoline-3-carboxylic acid
PubChem CID102543427
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name4-acetamido-8-fluoroquinoline-3-carboxylic acid
SMILESCC(=O)Nc1c(C(=O)O)cnc2c(F)cccc12
InChIInChI=1S/C12H9FN2O3/c1-6(16)15-10-7-3-2-4-9(13)11(7)14-5-8(10)12(17)18/h2-5H,1H3,(H,17,18)(H,14,15,16)
InChIKeyULVAHRIPITZEJG-UHFFFAOYSA-N
XLogP2.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid
CID 23239670
4-chloro-8-fluoro-N-(methoxymethyl)quinoline-3-carboxamide
CID 67511384
2-(aminomethyl)-8-fluoroquinoline-4-carboxylic acid
CID 84623455
ethane;1-[8-fluoro-4-(methylamino)quinolin-3-yl]ethanone;N-[(3-methylphenyl)methoxy]-1-phenylmethanamine
CID 142901431
8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
CID 83119404
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid
CID 22238992
3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54678751
8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylic acid
CID 156882069
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid
CID 7719171

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-8-fluoroquinoline-3-carboxylic acid?
The IUPAC name of 4-acetamido-8-fluoroquinoline-3-carboxylic acid (CID 102543427) is 4-acetamido-8-fluoroquinoline-3-carboxylic acid.
What is the SMILES notation for 4-acetamido-8-fluoroquinoline-3-carboxylic acid?
The canonical SMILES for 4-acetamido-8-fluoroquinoline-3-carboxylic acid is CC(=O)Nc1c(C(=O)O)cnc2c(F)cccc12.
What is the InChIKey of 4-acetamido-8-fluoroquinoline-3-carboxylic acid?
The InChIKey is ULVAHRIPITZEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-6(16)15-10-7-3-2-4-9(13)11(7)14-5-8(10)12(17)18/h2-5H,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-acetamido-8-fluoroquinoline-3-carboxylic acid?
4-acetamido-8-fluoroquinoline-3-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-8-fluoroquinoline-3-carboxylic acid is sourced from PubChem (CID 102543427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).