10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

C19H13F2NO5 — CID 155666681

IUPAC10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESCCOC(=O)C12c3ccc(F)c(F)c3C(=O)N1c1ccccc1C2C(=O)O
InChIInChI=1S/C19H13F2NO5/c1-2-27-18(26)19-10-7-8-11(20)15(21)13(10)16(23)22(19)12-6-4-3-5-9(12)14(19)17(24)25/h3-8,14H,2H2,1H3,(H,24,25)
InChIKeyIISKXUGICZXJHZ-UHFFFAOYSA-N
MW373.31 g/mol
LogP2.57
Rot. Bonds3

About 10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (PubChem CID 155666681) has the molecular formula C19H13F2NO5 and a molecular weight of 373.31 g/mol. Its IUPAC name is 10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.

Molecular Properties

Compound Name10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
PubChem CID155666681
Molecular FormulaC19H13F2NO5
Molecular Weight373.31 g/mol
Exact Mass373.08
IUPAC Name10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESCCOC(=O)C12c3ccc(F)c(F)c3C(=O)N1c1ccccc1C2C(=O)O
InChIInChI=1S/C19H13F2NO5/c1-2-27-18(26)19-10-7-8-11(20)15(21)13(10)16(23)22(19)12-6-4-3-5-9(12)14(19)17(24)25/h3-8,14H,2H2,1H3,(H,24,25)
InChIKeyIISKXUGICZXJHZ-UHFFFAOYSA-N
XLogP2.57
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (1S,5R)-6-cyano-3-(2-fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 146163261
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
ethyl 7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene-9-carboxylate
CID 89207064
ethyl (1S,3R,9bS)-1-(4-chlorophenyl)-3-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolo[2,1-a]isoindole-9b-carboxylate
CID 122386018
ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride
CID 157064125
ethyl (1R,3S,3aS,6aS)-3-ethyl-1-(2-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 7400361
ethyl (1R,3S,9bR)-3-hydroxy-1-(2-methoxyphenyl)-5-oxo-2,3-dihydro-1H-pyrrolo[2,1-a]isoindole-9b-carboxylate
CID 122386021
ethyl (8E)-10-benzyl-5,11-dioxo-7-phenyl-2,10-diazatricyclo[10.4.0.02,6]hexadeca-1(16),8,12,14-tetraene-6-carboxylate
CID 102278982
ethyl (1R,3S,3aS,6aS)-1-(2-fluorophenyl)-5-methyl-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate
CID 7400658
ethyl (1S,3R,3aR,6aS)-3-benzyl-5-ethyl-1-(2-fluorophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 11891184
ethyl (2S,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
CID 14868335
ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
CID 14868336

Frequently Asked Questions

What is the IUPAC name of 10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The IUPAC name of 10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (CID 155666681) is 10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.
What is the SMILES notation for 10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The canonical SMILES for 10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is CCOC(=O)C12c3ccc(F)c(F)c3C(=O)N1c1ccccc1C2C(=O)O.
What is the InChIKey of 10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The InChIKey is IISKXUGICZXJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO5/c1-2-27-18(26)19-10-7-8-11(20)15(21)13(10)16(23)22(19)12-6-4-3-5-9(12)14(19)17(24)25/h3-8,14H,2H2,1H3,(H,24,25).
What are the key properties of 10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid has a molecular weight of 373.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is sourced from PubChem (CID 155666681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).