10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

C18H19NO2S — CID 23238144

IUPAC10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCOc1ccc2c(c1O)-c1ccc(S)c3c1C(C2)N(C)CC3
InChIInChI=1S/C18H19NO2S/c1-19-8-7-11-15(22)6-4-12-16-10(9-13(19)17(11)12)3-5-14(21-2)18(16)20/h3-6,13,20,22H,7-9H2,1-2H3
InChIKeyVOBUTUTXHVWGKE-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.44
Rot. Bonds1

About 10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (PubChem CID 23238144) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.

Molecular Properties

Compound Name10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
PubChem CID23238144
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCOc1ccc2c(c1O)-c1ccc(S)c3c1C(C2)N(C)CC3
InChIInChI=1S/C18H19NO2S/c1-19-8-7-11-15(22)6-4-12-16-10(9-13(19)17(11)12)3-5-14(21-2)18(16)20/h3-6,13,20,22H,7-9H2,1-2H3
InChIKeyVOBUTUTXHVWGKE-UHFFFAOYSA-N
XLogP3.44
TPSA32.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol with MolForge

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Related Compounds

(6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 101127138
1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 162973167
1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol
CID 14378683
17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
CID 9276
(6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 44559867
bis((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol);hydrochloride
CID 3046132
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;methyl acetate
CID 121437272
tetrakis((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol);trihydrate;tetrahydrochloride
CID 20843067
sodium;(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydride
CID 174625151
(6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;hydrochloride
CID 6604693
methyl 2-[[(6aR)-11-hydroxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-yl]sulfanyl]benzoate
CID 15548768
2-methoxy-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 162992620

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The IUPAC name of 10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (CID 23238144) is 10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.
What is the SMILES notation for 10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The canonical SMILES for 10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is COc1ccc2c(c1O)-c1ccc(S)c3c1C(C2)N(C)CC3.
What is the InChIKey of 10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The InChIKey is VOBUTUTXHVWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-19-8-7-11-15(22)6-4-12-16-10(9-13(19)17(11)12)3-5-14(21-2)18(16)20/h3-6,13,20,22H,7-9H2,1-2H3.
What are the key properties of 10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol has a molecular weight of 313.42 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is sourced from PubChem (CID 23238144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).