10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid

C16H14FN3O4 — CID 154707108

About 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid

10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid (PubChem CID 154707108) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid.

Molecular Properties

• Compound Name: 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid
• PubChem CID: 154707108
• Molecular Formula: C16H14FN3O4
• Molecular Weight: 331.30 g/mol
• Exact Mass: 331.10
• IUPAC Name: 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid
• SMILES: CN1CC(=O)Nc2c1c(F)cc1c(=O)cc(C(=O)O)n(C3CC3)c21
• InChI: InChI=1S/C16H14FN3O4/c1-19-6-12(22)18-13-14-8(4-9(17)15(13)19)11(21)5-10(16(23)24)20(14)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,18,22)(H,23,24)
• InChIKey: AOBCZKBGHOIFCM-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 91.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.30
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid?

The IUPAC name of 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid (CID 154707108) is 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid.

What is the SMILES notation for 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid?

The canonical SMILES for 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid is CN1CC(=O)Nc2c1c(F)cc1c(=O)cc(C(=O)O)n(C3CC3)c21.

What is the InChIKey of 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid?

The InChIKey is AOBCZKBGHOIFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c1-19-6-12(22)18-13-14-8(4-9(17)15(13)19)11(21)5-10(16(23)24)20(14)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,18,22)(H,23,24).

What are the key properties of 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid?

10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid has a molecular weight of 331.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid is sourced from PubChem (CID 154707108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).