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

C19H14ClNO5 — CID 155666660

IUPAC2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESCCOC(=O)C12c3ccccc3C(=O)N1c1ccc(Cl)cc1C2C(=O)O
InChIInChI=1S/C19H14ClNO5/c1-2-26-18(25)19-13-6-4-3-5-11(13)16(22)21(19)14-8-7-10(20)9-12(14)15(19)17(23)24/h3-9,15H,2H2,1H3,(H,23,24)
InChIKeyRSLCQLRSFFNQOX-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.94
Rot. Bonds3

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

2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (PubChem CID 155666660) has the molecular formula C19H14ClNO5 and a molecular weight of 371.78 g/mol. Its IUPAC name is 2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.

Molecular Properties

Compound Name2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
PubChem CID155666660
Molecular FormulaC19H14ClNO5
Molecular Weight371.78 g/mol
Exact Mass371.06
IUPAC Name2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESCCOC(=O)C12c3ccccc3C(=O)N1c1ccc(Cl)cc1C2C(=O)O
InChIInChI=1S/C19H14ClNO5/c1-2-26-18(25)19-13-6-4-3-5-11(13)16(22)21(19)14-8-7-10(20)9-12(14)15(19)17(23)24/h3-9,15H,2H2,1H3,(H,23,24)
InChIKeyRSLCQLRSFFNQOX-UHFFFAOYSA-N
XLogP2.94
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The IUPAC name of 2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (CID 155666660) is 2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.
What is the SMILES notation for 2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The canonical SMILES for 2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is CCOC(=O)C12c3ccccc3C(=O)N1c1ccc(Cl)cc1C2C(=O)O.
What is the InChIKey of 2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The InChIKey is RSLCQLRSFFNQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO5/c1-2-26-18(25)19-13-6-4-3-5-11(13)16(22)21(19)14-8-7-10(20)9-12(14)15(19)17(23)24/h3-9,15H,2H2,1H3,(H,23,24).
What are the key properties of 2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid has a molecular weight of 371.78 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10b-ethoxycarbonyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is sourced from PubChem (CID 155666660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).