methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate

C17H16FN3O4 — CID 24897902

IUPACmethyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate
SMILESCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N(C)CC(=O)N3
InChIInChI=1S/C17H16FN3O4/c1-20-7-12(22)19-13-14-9(5-11(18)15(13)20)16(23)10(17(24)25-2)6-21(14)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,19,22)
InChIKeyWXTLGBXLQSEJGM-UHFFFAOYSA-N
MW345.33 g/mol
LogP1.65
Rot. Bonds2

About methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate

methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate (PubChem CID 24897902) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate.

Molecular Properties

Compound Namemethyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate
PubChem CID24897902
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Namemethyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate
SMILESCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N(C)CC(=O)N3
InChIInChI=1S/C17H16FN3O4/c1-20-7-12(22)19-13-14-9(5-11(18)15(13)20)16(23)10(17(24)25-2)6-21(14)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,19,22)
InChIKeyWXTLGBXLQSEJGM-UHFFFAOYSA-N
XLogP1.65
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 18351232
methyl 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 143406870
10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-9-carboxylic acid
CID 154707108
methyl 1-cyclopropyl-7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoro-8-(methoxymethyl)-4-oxoquinoline-3-carboxylate
CID 19841130
CID 88571695
CID 88571695
fluoro 12-cyclopropyl-18-fluoro-15-oxo-2,8,12-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate
CID 143890881
(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-fluoro-7-(4-hydroxypiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10126388
(3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid
CID 102155134
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
CID 24952472
methyl 7-[2-(2-cyanoethoxy)-2-oxoethyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylate
CID 70374681
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932

Frequently Asked Questions

What is the IUPAC name of methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate?
The IUPAC name of methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate (CID 24897902) is methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate.
What is the SMILES notation for methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate?
The canonical SMILES for methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate is COC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N(C)CC(=O)N3.
What is the InChIKey of methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate?
The InChIKey is WXTLGBXLQSEJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-20-7-12(22)19-13-14-9(5-11(18)15(13)20)16(23)10(17(24)25-2)6-21(14)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,19,22).
What are the key properties of methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate?
methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate has a molecular weight of 345.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-cyclopropyl-5-fluoro-4-methyl-2,7-dioxo-1,3-dihydropyrido[2,3-f]quinoxaline-8-carboxylate is sourced from PubChem (CID 24897902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).