7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid

C16H14N2O4 — CID 66667738

IUPAC7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid
SMILESCN(C)C(=O)c1cc(O)c2c(C(=O)O)c3ccccc3n2c1
InChIInChI=1S/C16H14N2O4/c1-17(2)15(20)9-7-12(19)14-13(16(21)22)10-5-3-4-6-11(10)18(14)8-9/h3-8,19H,1-2H3,(H,21,22)
InChIKeyJMIJPGXHJXZNPX-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.20
Rot. Bonds2

About 7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid

7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid (PubChem CID 66667738) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid.

Molecular Properties

Compound Name7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid
PubChem CID66667738
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid
SMILESCN(C)C(=O)c1cc(O)c2c(C(=O)O)c3ccccc3n2c1
InChIInChI=1S/C16H14N2O4/c1-17(2)15(20)9-7-12(19)14-13(16(21)22)10-5-3-4-6-11(10)18(14)8-9/h3-8,19H,1-2H3,(H,21,22)
InChIKeyJMIJPGXHJXZNPX-UHFFFAOYSA-N
XLogP2.20
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid?
The IUPAC name of 7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid (CID 66667738) is 7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid.
What is the SMILES notation for 7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid?
The canonical SMILES for 7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid is CN(C)C(=O)c1cc(O)c2c(C(=O)O)c3ccccc3n2c1.
What is the InChIKey of 7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid?
The InChIKey is JMIJPGXHJXZNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-17(2)15(20)9-7-12(19)14-13(16(21)22)10-5-3-4-6-11(10)18(14)8-9/h3-8,19H,1-2H3,(H,21,22).
What are the key properties of 7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid?
7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylcarbamoyl)-9-hydroxypyrido[1,2-a]indole-10-carboxylic acid is sourced from PubChem (CID 66667738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).