(6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

C21H23NO2 — CID 46180259

IUPAC(6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESC=CCc1ccc2c(c1O)-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C21H23NO2/c1-4-5-13-6-7-14-11-18-19-15(8-9-22(18)2)10-16(24-3)12-17(19)20(14)21(13)23/h4,6-7,10,12,18,23H,1,5,8-9,11H2,2-3H3/t18-/m1/s1
InChIKeyNZGYOYHJUVTVOA-GOSISDBHSA-N
MW321.42 g/mol
LogP3.88
Rot. Bonds3

About (6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

(6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (PubChem CID 46180259) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.

Molecular Properties

Compound Name(6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
PubChem CID46180259
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESC=CCc1ccc2c(c1O)-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3
InChIInChI=1S/C21H23NO2/c1-4-5-13-6-7-14-11-18-19-15(8-9-22(18)2)10-16(24-3)12-17(19)20(14)21(13)23/h4,6-7,10,12,18,23H,1,5,8-9,11H2,2-3H3/t18-/m1/s1
InChIKeyNZGYOYHJUVTVOA-GOSISDBHSA-N
XLogP3.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol 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

(6aR)-2-methoxy-6-methyl-11-prop-2-enoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 46180258
1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 162973167
(6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 44559867
(6aR)-2,10-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 15748186
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
6-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol
CID 70480088
10-methoxy-6-methyl-3-sulfanyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 23238144
(6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 10637496
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
2-(2-fluoroethoxy)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 75967295
sodium;(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydride
CID 174625151

Frequently Asked Questions

What is the IUPAC name of (6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The IUPAC name of (6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (CID 46180259) is (6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.
What is the SMILES notation for (6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The canonical SMILES for (6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is C=CCc1ccc2c(c1O)-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3.
What is the InChIKey of (6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The InChIKey is NZGYOYHJUVTVOA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23NO2/c1-4-5-13-6-7-14-11-18-19-15(8-9-22(18)2)10-16(24-3)12-17(19)20(14)21(13)23/h4,6-7,10,12,18,23H,1,5,8-9,11H2,2-3H3/t18-/m1/s1.
What are the key properties of (6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
(6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol has a molecular weight of 321.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2-methoxy-6-methyl-10-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is sourced from PubChem (CID 46180259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).