(10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol

C14H19NO2 — CID 123982998

IUPAC(10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol
SMILESCN1CCC[C@H]2c3ccc(O)c(O)c3CCC21
InChIInChI=1S/C14H19NO2/c1-15-8-2-3-10-9-5-7-13(16)14(17)11(9)4-6-12(10)15/h5,7,10,12,16-17H,2-4,6,8H2,1H3/t10-,12?/m0/s1
InChIKeySWFUCNOWUPBIGO-NUHJPDEHSA-N
MW233.31 g/mol
LogP2.22
Rot. Bonds

About (10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol

(10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol (PubChem CID 123982998) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol.

Molecular Properties

Compound Name(10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol
PubChem CID123982998
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol
SMILESCN1CCC[C@H]2c3ccc(O)c(O)c3CCC21
InChIInChI=1S/C14H19NO2/c1-15-8-2-3-10-9-5-7-13(16)14(17)11(9)4-6-12(10)15/h5,7,10,12,16-17H,2-4,6,8H2,1H3/t10-,12?/m0/s1
InChIKeySWFUCNOWUPBIGO-NUHJPDEHSA-N
XLogP2.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze (10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol 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

(4aS,10bR)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol;hydrobromide
CID 66634113
(4aS,10bR)-7-methoxy-8-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline;(4aS,10bR)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol;hydrobromide;hydrochloride
CID 161396655
3-(2-hydroxyethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indole-6,7-diol
CID 77155516
(3aS,9bS)-3-ethyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole-6,7-diol
CID 66630060
(4aS,10bS)-4-benzyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol
CID 66630752
(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 14151659
(4aR,10aR)-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline-6,7-diol;hydrobromide
CID 66588710
(1R)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-5,6-diol
CID 53481438
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,8-diol
CID 66629451
(4aR,10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-4,7-phenanthroline
CID 3063622
(4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 14450375
(2R,4aR,10bR)-2-(methylsulfanylmethyl)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol
CID 14488746

Frequently Asked Questions

What is the IUPAC name of (10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol?
The IUPAC name of (10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol (CID 123982998) is (10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol.
What is the SMILES notation for (10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol?
The canonical SMILES for (10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol is CN1CCC[C@H]2c3ccc(O)c(O)c3CCC21.
What is the InChIKey of (10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol?
The InChIKey is SWFUCNOWUPBIGO-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-8-2-3-10-9-5-7-13(16)14(17)11(9)4-6-12(10)15/h5,7,10,12,16-17H,2-4,6,8H2,1H3/t10-,12?/m0/s1.
What are the key properties of (10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol?
(10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol has a molecular weight of 233.31 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol is sourced from PubChem (CID 123982998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).