7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide

C11H9FN2O3 — CID 22250097

IUPAC7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide
SMILESCN1C(=O)C(C(N)=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C11H9FN2O3/c1-14-7-4-5(12)2-3-6(7)9(15)8(10(13)16)11(14)17/h2-4,8H,1H3,(H2,13,16)
InChIKeyOCMNQBTVMSWJHC-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.09
Rot. Bonds1

About 7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide

7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide (PubChem CID 22250097) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide
PubChem CID22250097
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide
SMILESCN1C(=O)C(C(N)=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C11H9FN2O3/c1-14-7-4-5(12)2-3-6(7)9(15)8(10(13)16)11(14)17/h2-4,8H,1H3,(H2,13,16)
InChIKeyOCMNQBTVMSWJHC-UHFFFAOYSA-N
XLogP0.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide?
The IUPAC name of 7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide (CID 22250097) is 7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide is CN1C(=O)C(C(N)=O)C(=O)c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide?
The InChIKey is OCMNQBTVMSWJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-14-7-4-5(12)2-3-6(7)9(15)8(10(13)16)11(14)17/h2-4,8H,1H3,(H2,13,16).
What are the key properties of 7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide?
7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide has a molecular weight of 236.20 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-2,4-dioxoquinoline-3-carboxamide is sourced from PubChem (CID 22250097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).