10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

C21H18N2O5 — CID 155666668

IUPAC10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESO=C(O)C1c2ccccc2N2C(=O)c3ccccc3C12C(=O)N1CCOCC1
InChIInChI=1S/C21H18N2O5/c24-18-13-5-1-3-7-15(13)21(20(27)22-9-11-28-12-10-22)17(19(25)26)14-6-2-4-8-16(14)23(18)21/h1-8,17H,9-12H2,(H,25,26)
InChIKeyVKMNYDRWMDWNFX-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.58
Rot. Bonds2

About 10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (PubChem CID 155666668) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.

Molecular Properties

Compound Name10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
PubChem CID155666668
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESO=C(O)C1c2ccccc2N2C(=O)c3ccccc3C12C(=O)N1CCOCC1
InChIInChI=1S/C21H18N2O5/c24-18-13-5-1-3-7-15(13)21(20(27)22-9-11-28-12-10-22)17(19(25)26)14-6-2-4-8-16(14)23(18)21/h1-8,17H,9-12H2,(H,25,26)
InChIKeyVKMNYDRWMDWNFX-UHFFFAOYSA-N
XLogP1.58
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The IUPAC name of 10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (CID 155666668) is 10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.
What is the SMILES notation for 10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The canonical SMILES for 10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is O=C(O)C1c2ccccc2N2C(=O)c3ccccc3C12C(=O)N1CCOCC1.
What is the InChIKey of 10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The InChIKey is VKMNYDRWMDWNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-18-13-5-1-3-7-15(13)21(20(27)22-9-11-28-12-10-22)17(19(25)26)14-6-2-4-8-16(14)23(18)21/h1-8,17H,9-12H2,(H,25,26).
What are the key properties of 10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid has a molecular weight of 378.38 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-(morpholine-4-carbonyl)-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is sourced from PubChem (CID 155666668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).