6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one

C12H10N2O2 — CID 115028655

IUPAC6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one
SMILESCn1c2ccc(O)cc2c2cc(=O)[nH]cc21
InChIInChI=1S/C12H10N2O2/c1-14-10-3-2-7(15)4-8(10)9-5-12(16)13-6-11(9)14/h2-6,15H,1H3,(H,13,16)
InChIKeyLXHFMDWFUASHMB-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.73
Rot. Bonds

About 6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one

6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one (PubChem CID 115028655) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one.

Molecular Properties

Compound Name6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one
PubChem CID115028655
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one
SMILESCn1c2ccc(O)cc2c2cc(=O)[nH]cc21
InChIInChI=1S/C12H10N2O2/c1-14-10-3-2-7(15)4-8(10)9-5-12(16)13-6-11(9)14/h2-6,15H,1H3,(H,13,16)
InChIKeyLXHFMDWFUASHMB-UHFFFAOYSA-N
XLogP1.73
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one?
The IUPAC name of 6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one (CID 115028655) is 6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one.
What is the SMILES notation for 6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one?
The canonical SMILES for 6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one is Cn1c2ccc(O)cc2c2cc(=O)[nH]cc21.
What is the InChIKey of 6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one?
The InChIKey is LXHFMDWFUASHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-14-10-3-2-7(15)4-8(10)9-5-12(16)13-6-11(9)14/h2-6,15H,1H3,(H,13,16).
What are the key properties of 6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one?
6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one has a molecular weight of 214.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one is sourced from PubChem (CID 115028655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).