5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one

C13H12N2O2 — CID 115036593

IUPAC5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
SMILESCOc1cccc2c1c1cc[nH]c(=O)c1n2C
InChIInChI=1S/C13H12N2O2/c1-15-9-4-3-5-10(17-2)11(9)8-6-7-14-13(16)12(8)15/h3-7H,1-2H3,(H,14,16)
InChIKeyNDSILBQQXWBUGQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.03
Rot. Bonds1

About 5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one

5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one (PubChem CID 115036593) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
PubChem CID115036593
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
SMILESCOc1cccc2c1c1cc[nH]c(=O)c1n2C
InChIInChI=1S/C13H12N2O2/c1-15-9-4-3-5-10(17-2)11(9)8-6-7-14-13(16)12(8)15/h3-7H,1-2H3,(H,14,16)
InChIKeyNDSILBQQXWBUGQ-UHFFFAOYSA-N
XLogP2.03
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one
CID 115027878
5-methoxy-2,9-dimethylcarbazole
CID 86239473
6,7-difluoro-1-methoxy-10-methylacridin-9-one
CID 102061435
3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262276
3-methoxy-1H-pyridin-2-one;hydrate
CID 90189833
3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole
CID 115045950
5-methoxy-9-methyl-2-(trifluoromethyl)carbazole
CID 139447926
8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one
CID 115063386
5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione
CID 132821169
3-chloro-4-methoxy-1-methylindole-2-carboxylic acid
CID 102544072
6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one
CID 82276334
4-methoxy-1,2,3-trimethylcyclohepta[c]pyrrol-8-one
CID 804120

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one?
The IUPAC name of 5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one (CID 115036593) is 5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one.
What is the SMILES notation for 5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one?
The canonical SMILES for 5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one is COc1cccc2c1c1cc[nH]c(=O)c1n2C.
What is the InChIKey of 5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one?
The InChIKey is NDSILBQQXWBUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-15-9-4-3-5-10(17-2)11(9)8-6-7-14-13(16)12(8)15/h3-7H,1-2H3,(H,14,16).
What are the key properties of 5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one?
5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one has a molecular weight of 228.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one is sourced from PubChem (CID 115036593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).