3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid

C18H16FN3O6 — CID 11988580

About 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid

3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid (PubChem CID 11988580) has the molecular formula C18H16FN3O6 and a molecular weight of 389.34 g/mol. Its IUPAC name is 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid.

Molecular Properties

• Compound Name: 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid
• PubChem CID: 11988580
• Molecular Formula: C18H16FN3O6
• Molecular Weight: 389.34 g/mol
• Exact Mass: 389.10
• IUPAC Name: 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid
• SMILES: O=C(O)CCC1Nc2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2NC1=O
• InChI: InChI=1S/C18H16FN3O6/c19-10-5-8-15(22(7-1-2-7)6-9(16(8)25)18(27)28)14-13(10)20-11(17(26)21-14)3-4-12(23)24/h5-7,11,20H,1-4H2,(H,21,26)(H,23,24)(H,27,28)
• InChIKey: LNEMDDIBGCPHMS-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 137.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.34
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid?

The IUPAC name of 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid (CID 11988580) is 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid.

What is the SMILES notation for 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid?

The canonical SMILES for 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid is O=C(O)CCC1Nc2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2NC1=O.

What is the InChIKey of 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid?

The InChIKey is LNEMDDIBGCPHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O6/c19-10-5-8-15(22(7-1-2-7)6-9(16(8)25)18(27)28)14-13(10)20-11(17(26)21-14)3-4-12(23)24/h5-7,11,20H,1-4H2,(H,21,26)(H,23,24)(H,27,28).

What are the key properties of 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid?

3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid has a molecular weight of 389.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid is sourced from PubChem (CID 11988580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).