6-methoxypyrido[3,4-b]indol-1-one

C12H8N2O2 — CID 142042222

IUPAC6-methoxypyrido[3,4-b]indol-1-one
SMILESCOc1ccc2c(c1)C1=CC=NC(=O)C1=N2
InChIInChI=1S/C12H8N2O2/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-6H,1H3
InChIKeyGJJWRPZPEAAIMH-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.78
Rot. Bonds1

About 6-methoxypyrido[3,4-b]indol-1-one

6-methoxypyrido[3,4-b]indol-1-one (PubChem CID 142042222) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-methoxypyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name6-methoxypyrido[3,4-b]indol-1-one
PubChem CID142042222
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name6-methoxypyrido[3,4-b]indol-1-one
SMILESCOc1ccc2c(c1)C1=CC=NC(=O)C1=N2
InChIInChI=1S/C12H8N2O2/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-6H,1H3
InChIKeyGJJWRPZPEAAIMH-UHFFFAOYSA-N
XLogP1.78
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-methoxy-3-propan-2-ylideneindole
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(3E)-3-[(E)-but-2-enylidene]-2-(4-methoxyphenyl)-6-methylquinolin-4-one
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2-(5-methoxy-2-propoxyphenyl)purin-6-one
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Frequently Asked Questions

What is the IUPAC name of 6-methoxypyrido[3,4-b]indol-1-one?
The IUPAC name of 6-methoxypyrido[3,4-b]indol-1-one (CID 142042222) is 6-methoxypyrido[3,4-b]indol-1-one.
What is the SMILES notation for 6-methoxypyrido[3,4-b]indol-1-one?
The canonical SMILES for 6-methoxypyrido[3,4-b]indol-1-one is COc1ccc2c(c1)C1=CC=NC(=O)C1=N2.
What is the InChIKey of 6-methoxypyrido[3,4-b]indol-1-one?
The InChIKey is GJJWRPZPEAAIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-6H,1H3.
What are the key properties of 6-methoxypyrido[3,4-b]indol-1-one?
6-methoxypyrido[3,4-b]indol-1-one has a molecular weight of 212.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyrido[3,4-b]indol-1-one is sourced from PubChem (CID 142042222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).