10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

C20H17NO6 — CID 155666666

IUPAC10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESCCOC(=O)C12c3ccccc3C(=O)N1c1cc(OC)ccc1C2C(=O)O
InChIInChI=1S/C20H17NO6/c1-3-27-19(25)20-14-7-5-4-6-12(14)17(22)21(20)15-10-11(26-2)8-9-13(15)16(20)18(23)24/h4-10,16H,3H2,1-2H3,(H,23,24)
InChIKeyQVIQMZCWWYUGSW-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.30
Rot. Bonds4

About 10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (PubChem CID 155666666) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is 10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.

Molecular Properties

Compound Name10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
PubChem CID155666666
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESCCOC(=O)C12c3ccccc3C(=O)N1c1cc(OC)ccc1C2C(=O)O
InChIInChI=1S/C20H17NO6/c1-3-27-19(25)20-14-7-5-4-6-12(14)17(22)21(20)15-10-11(26-2)8-9-13(15)16(20)18(23)24/h4-10,16H,3H2,1-2H3,(H,23,24)
InChIKeyQVIQMZCWWYUGSW-UHFFFAOYSA-N
XLogP2.30
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The IUPAC name of 10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (CID 155666666) is 10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.
What is the SMILES notation for 10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The canonical SMILES for 10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is CCOC(=O)C12c3ccccc3C(=O)N1c1cc(OC)ccc1C2C(=O)O.
What is the InChIKey of 10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The InChIKey is QVIQMZCWWYUGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-3-27-19(25)20-14-7-5-4-6-12(14)17(22)21(20)15-10-11(26-2)8-9-13(15)16(20)18(23)24/h4-10,16H,3H2,1-2H3,(H,23,24).
What are the key properties of 10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid has a molecular weight of 367.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-ethoxycarbonyl-3-methoxy-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is sourced from PubChem (CID 155666666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).