7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid

C16H13NO4 — CID 66667656

IUPAC7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid
SMILESCOc1cc(C(C)=O)cn2c1c(C(=O)O)c1ccccc12
InChIInChI=1S/C16H13NO4/c1-9(18)10-7-13(21-2)15-14(16(19)20)11-5-3-4-6-12(11)17(15)8-10/h3-8H,1-2H3,(H,19,20)
InChIKeyAIXVWHLIZLTXQF-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.00
Rot. Bonds3

About 7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid

7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid (PubChem CID 66667656) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid.

Molecular Properties

Compound Name7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid
PubChem CID66667656
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid
SMILESCOc1cc(C(C)=O)cn2c1c(C(=O)O)c1ccccc12
InChIInChI=1S/C16H13NO4/c1-9(18)10-7-13(21-2)15-14(16(19)20)11-5-3-4-6-12(11)17(15)8-10/h3-8H,1-2H3,(H,19,20)
InChIKeyAIXVWHLIZLTXQF-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid?
The IUPAC name of 7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid (CID 66667656) is 7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid.
What is the SMILES notation for 7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid?
The canonical SMILES for 7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid is COc1cc(C(C)=O)cn2c1c(C(=O)O)c1ccccc12.
What is the InChIKey of 7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid?
The InChIKey is AIXVWHLIZLTXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-9(18)10-7-13(21-2)15-14(16(19)20)11-5-3-4-6-12(11)17(15)8-10/h3-8H,1-2H3,(H,19,20).
What are the key properties of 7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid?
7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-9-methoxypyrido[1,2-a]indole-10-carboxylic acid is sourced from PubChem (CID 66667656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).