6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one

C12H12N2O2 — CID 105424090

IUPAC6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
SMILESCc1cc(O)c2[nH]c3c(c2c1)C(=O)NCC3
InChIInChI=1S/C12H12N2O2/c1-6-4-7-10-8(2-3-13-12(10)16)14-11(7)9(15)5-6/h4-5,14-15H,2-3H2,1H3,(H,13,16)
InChIKeyZFOIQERJUFZVFX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.47
Rot. Bonds

About 6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one

6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one (PubChem CID 105424090) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
PubChem CID105424090
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
SMILESCc1cc(O)c2[nH]c3c(c2c1)C(=O)NCC3
InChIInChI=1S/C12H12N2O2/c1-6-4-7-10-8(2-3-13-12(10)16)14-11(7)9(15)5-6/h4-5,14-15H,2-3H2,1H3,(H,13,16)
InChIKeyZFOIQERJUFZVFX-UHFFFAOYSA-N
XLogP1.47
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one with MolForge

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

Launch Full Analysis

Related Compounds

7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424071
12-chloro-4,8,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-3-one
CID 156540165
8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424073
6,9-dichloro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424141
1-(7-hydroxy-2,5-dimethyl-1H-indol-3-yl)ethanone
CID 105455127
8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424119
6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one
CID 83528405
5,8-dihydroxy-3,4-dihydro-2H-isoquinolin-1-one
CID 117046400
8-hydroxy-3,4-dihydro-2H-isoquinolin-1-one
CID 53399164
8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424112
4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one
CID 71120845
7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole
CID 84622011

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The IUPAC name of 6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one (CID 105424090) is 6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one.
What is the SMILES notation for 6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The canonical SMILES for 6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one is Cc1cc(O)c2[nH]c3c(c2c1)C(=O)NCC3.
What is the InChIKey of 6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The InChIKey is ZFOIQERJUFZVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-6-4-7-10-8(2-3-13-12(10)16)14-11(7)9(15)5-6/h4-5,14-15H,2-3H2,1H3,(H,13,16).
What are the key properties of 6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one has a molecular weight of 216.24 g/mol, XLogP of 1.47, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one is sourced from PubChem (CID 105424090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).