6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid

C16H14FN3O5 — CID 11988711

IUPAC6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c3c(cc2c1=O)NC(=O)C(CO)N3
InChIInChI=1S/C16H14FN3O5/c17-11-12-9(19-15(23)10(5-21)18-12)3-7-13(11)20(6-1-2-6)4-8(14(7)22)16(24)25/h3-4,6,10,18,21H,1-2,5H2,(H,19,23)(H,24,25)
InChIKeyGEFOXJURPXLWQQ-UHFFFAOYSA-N
MW347.30 g/mol
LogP0.90
Rot. Bonds3

About 6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid

6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid (PubChem CID 11988711) has the molecular formula C16H14FN3O5 and a molecular weight of 347.30 g/mol. Its IUPAC name is 6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid
PubChem CID11988711
Molecular FormulaC16H14FN3O5
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c3c(cc2c1=O)NC(=O)C(CO)N3
InChIInChI=1S/C16H14FN3O5/c17-11-12-9(19-15(23)10(5-21)18-12)3-7-13(11)20(6-1-2-6)4-8(14(7)22)16(24)25/h3-4,6,10,18,21H,1-2,5H2,(H,19,23)(H,24,25)
InChIKeyGEFOXJURPXLWQQ-UHFFFAOYSA-N
XLogP0.90
TPSA120.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]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
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912
10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid
CID 11988581
1-cyclopropyl-6,8-difluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 22154683
1-cyclopropyl-7-(3-ethyl-3-hydroxyazetidin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10067318
8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 67565236
1-cyclopropyl-6,8-difluoro-7-(4-methylimidazol-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14476717
1-cyclopropyl-6-fluoro-7-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11749619
1-cyclopropyl-6,8-difluoro-7-(imidazol-1-ylmethyl)-4-oxoquinoline-3-carboxylic acid
CID 122197410
1-cyclopropyl-8-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CID 169436318

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid?
The IUPAC name of 6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid (CID 11988711) is 6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(F)c3c(cc2c1=O)NC(=O)C(CO)N3.
What is the InChIKey of 6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid?
The InChIKey is GEFOXJURPXLWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O5/c17-11-12-9(19-15(23)10(5-21)18-12)3-7-13(11)20(6-1-2-6)4-8(14(7)22)16(24)25/h3-4,6,10,18,21H,1-2,5H2,(H,19,23)(H,24,25).
What are the key properties of 6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid?
6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid has a molecular weight of 347.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid is sourced from PubChem (CID 11988711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).