10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

C19H14FNO5 — CID 155666671

IUPAC10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESCCOC(=O)C12c3cc(F)ccc3C(=O)N1c1ccccc1C2C(=O)O
InChIInChI=1S/C19H14FNO5/c1-2-26-18(25)19-13-9-10(20)7-8-11(13)16(22)21(19)14-6-4-3-5-12(14)15(19)17(23)24/h3-9,15H,2H2,1H3,(H,23,24)
InChIKeyVPFRIXKBHMDSIC-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.43
Rot. Bonds3

About 10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (PubChem CID 155666671) has the molecular formula C19H14FNO5 and a molecular weight of 355.32 g/mol. Its IUPAC name is 10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.

Molecular Properties

Compound Name10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
PubChem CID155666671
Molecular FormulaC19H14FNO5
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESCCOC(=O)C12c3cc(F)ccc3C(=O)N1c1ccccc1C2C(=O)O
InChIInChI=1S/C19H14FNO5/c1-2-26-18(25)19-13-9-10(20)7-8-11(13)16(22)21(19)14-6-4-3-5-12(14)15(19)17(23)24/h3-9,15H,2H2,1H3,(H,23,24)
InChIKeyVPFRIXKBHMDSIC-UHFFFAOYSA-N
XLogP2.43
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10b-ethoxycarbonyl-10-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666656
10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666664
10b-ethoxycarbonyl-2-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666674
10b-ethoxycarbonyl-7,8-difluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666681
methyl (10bS)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate
CID 134953120
methyl (10bR)-6-oxo-11H-isoindolo[2,1-a]indole-10b-carboxylate
CID 135032723
10b-ethoxycarbonyl-9-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666659
2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666660
10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666662
10b-ethoxycarbonyl-1-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666663
10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666666
10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
CID 155666668

Frequently Asked Questions

What is the IUPAC name of 10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The IUPAC name of 10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (CID 155666671) is 10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.
What is the SMILES notation for 10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The canonical SMILES for 10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is CCOC(=O)C12c3cc(F)ccc3C(=O)N1c1ccccc1C2C(=O)O.
What is the InChIKey of 10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The InChIKey is VPFRIXKBHMDSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO5/c1-2-26-18(25)19-13-9-10(20)7-8-11(13)16(22)21(19)14-6-4-3-5-12(14)15(19)17(23)24/h3-9,15H,2H2,1H3,(H,23,24).
What are the key properties of 10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid has a molecular weight of 355.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-ethoxycarbonyl-9-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is sourced from PubChem (CID 155666671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).