5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid

C18H12FN3O4 — CID 54587507

IUPAC5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc3[nH]c(=O)[nH]c3c2)c2cccc(F)c2c1=O
InChIInChI=1S/C18H12FN3O4/c19-11-2-1-3-14-15(11)16(23)10(17(24)25)8-22(14)7-9-4-5-12-13(6-9)21-18(26)20-12/h1-6,8H,7H2,(H,24,25)(H2,20,21,26)
InChIKeyUULWIWYGCABLGS-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.06
Rot. Bonds3

About 5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid

5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid (PubChem CID 54587507) has the molecular formula C18H12FN3O4 and a molecular weight of 353.31 g/mol. Its IUPAC name is 5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid
PubChem CID54587507
Molecular FormulaC18H12FN3O4
Molecular Weight353.31 g/mol
Exact Mass353.08
IUPAC Name5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc3[nH]c(=O)[nH]c3c2)c2cccc(F)c2c1=O
InChIInChI=1S/C18H12FN3O4/c19-11-2-1-3-14-15(11)16(23)10(17(24)25)8-22(14)7-9-4-5-12-13(6-9)21-18(26)20-12/h1-6,8H,7H2,(H,24,25)(H2,20,21,26)
InChIKeyUULWIWYGCABLGS-UHFFFAOYSA-N
XLogP2.06
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid with MolForge

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Related Compounds

1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46225414
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46187846
5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 46232994
1-[[4-(4-ethenylpyrazol-1-yl)phenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 58297059
6-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxylic acid
CID 110128894
ethyl 1-[(4-bromophenyl)methyl]-5-fluoro-4-oxoquinoline-3-carboxylate
CID 135072615
5,8-difluoro-4-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
CID 44817063
1-[[4-[1-amino-3-(2-methylpropylimino)prop-1-en-2-yl]-2-fluorophenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 173494284
6,7-difluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771935
1-[(4-fluorophenyl)methyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 21079394
1-[(3,4-difluorophenyl)methyl]-4-fluoro-N-[(3R,4S)-3-fluoropiperidin-4-yl]indole-3-carboxamide
CID 135312849
5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid
CID 170984861

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid (CID 54587507) is 5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc3[nH]c(=O)[nH]c3c2)c2cccc(F)c2c1=O.
What is the InChIKey of 5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid?
The InChIKey is UULWIWYGCABLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O4/c19-11-2-1-3-14-15(11)16(23)10(17(24)25)8-22(14)7-9-4-5-12-13(6-9)21-18(26)20-12/h1-6,8H,7H2,(H,24,25)(H2,20,21,26).
What are the key properties of 5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid?
5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid has a molecular weight of 353.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 54587507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).