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

C21H16FN3O4 — CID 11988581

IUPAC10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)NC(c1ccccc1)C(=O)N3
InChIInChI=1S/C21H16FN3O4/c22-14-8-12-18(25(11-6-7-11)9-13(19(12)26)21(28)29)17-16(14)23-15(20(27)24-17)10-4-2-1-3-5-10/h1-5,8-9,11,15,23H,6-7H2,(H,24,27)(H,28,29)
InChIKeyXMWKTDJMYXODCU-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.28
Rot. Bonds3

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

10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid (PubChem CID 11988581) has the molecular formula C21H16FN3O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is 10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid.

Molecular Properties

Compound Name10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid
PubChem CID11988581
Molecular FormulaC21H16FN3O4
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)NC(c1ccccc1)C(=O)N3
InChIInChI=1S/C21H16FN3O4/c22-14-8-12-18(25(11-6-7-11)9-13(19(12)26)21(28)29)17-16(14)23-15(20(27)24-17)10-4-2-1-3-5-10/h1-5,8-9,11,15,23H,6-7H2,(H,24,27)(H,28,29)
InChIKeyXMWKTDJMYXODCU-UHFFFAOYSA-N
XLogP3.28
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-(2-carboxyethyl)-10-cyclopropyl-5-fluoro-2,7-dioxo-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid
CID 11988580
(3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid
CID 102155134
(11S)-16-cyclopropyl-22-fluoro-12,19-dioxo-2,13,16-triazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(22),4,6,8,14,17,20-heptaene-18-carboxylic acid
CID 23650271
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(2-phenylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 21087441
7-(1-aminocyclopropyl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 139671294
6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid
CID 11988711
7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 122197409
1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid
CID 46927955
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912

Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid?
The IUPAC name of 10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid (CID 11988581) is 10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid.
What is the SMILES notation for 10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid?
The canonical SMILES for 10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid is O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)NC(c1ccccc1)C(=O)N3.
What is the InChIKey of 10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid?
The InChIKey is XMWKTDJMYXODCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4/c22-14-8-12-18(25(11-6-7-11)9-13(19(12)26)21(28)29)17-16(14)23-15(20(27)24-17)10-4-2-1-3-5-10/h1-5,8-9,11,15,23H,6-7H2,(H,24,27)(H,28,29).
What are the key properties of 10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid?
10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid has a molecular weight of 393.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid is sourced from PubChem (CID 11988581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).