5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C18H17FN2O5 — CID 119221762

IUPAC5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)C2CC(=O)Nc3cc(F)ccc32)cc1C(=O)O
InChIInChI=1S/C18H17FN2O5/c1-9-13(18(24)25)6-11(26-9)8-21(2)17(23)14-7-16(22)20-15-5-10(19)3-4-12(14)15/h3-6,14H,7-8H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyRTWDKDRETOSVPV-UHFFFAOYSA-N
MW360.34 g/mol
LogP2.51
Rot. Bonds4

About 5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119221762) has the molecular formula C18H17FN2O5 and a molecular weight of 360.34 g/mol. Its IUPAC name is 5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119221762
Molecular FormulaC18H17FN2O5
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)C2CC(=O)Nc3cc(F)ccc32)cc1C(=O)O
InChIInChI=1S/C18H17FN2O5/c1-9-13(18(24)25)6-11(26-9)8-21(2)17(23)14-7-16(22)20-15-5-10(19)3-4-12(14)15/h3-6,14H,7-8H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyRTWDKDRETOSVPV-UHFFFAOYSA-N
XLogP2.51
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119221762) is 5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)C2CC(=O)Nc3cc(F)ccc32)cc1C(=O)O.
What is the InChIKey of 5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is RTWDKDRETOSVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5/c1-9-13(18(24)25)6-11(26-9)8-21(2)17(23)14-7-16(22)20-15-5-10(19)3-4-12(14)15/h3-6,14H,7-8H2,1-2H3,(H,20,22)(H,24,25).
What are the key properties of 5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 360.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119221762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).