(4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol

C16H23NO — CID 54496451

IUPAC(4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
SMILESCN1CCC[C@@H]2[C@@H]1Cc1ccc(O)cc1C2(C)C
InChIInChI=1S/C16H23NO/c1-16(2)13-5-4-8-17(3)15(13)9-11-6-7-12(18)10-14(11)16/h6-7,10,13,15,18H,4-5,8-9H2,1-3H3/t13-,15+/m1/s1
InChIKeyXZLGSTGEGFDDAB-HIFRSBDPSA-N
MW245.37 g/mol
LogP2.94
Rot. Bonds

About (4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol

(4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol (PubChem CID 54496451) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol.

Molecular Properties

Compound Name(4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
PubChem CID54496451
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
SMILESCN1CCC[C@@H]2[C@@H]1Cc1ccc(O)cc1C2(C)C
InChIInChI=1S/C16H23NO/c1-16(2)13-5-4-8-17(3)15(13)9-11-6-7-12(18)10-14(11)16/h6-7,10,13,15,18H,4-5,8-9H2,1-3H3/t13-,15+/m1/s1
InChIKeyXZLGSTGEGFDDAB-HIFRSBDPSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-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

1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 21436194
(4aS,10aR)-7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
CID 22792255
7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
CID 21436183
(1S,9S,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 5390113
(4aS,10aR)-5,5-dimethyl-1-(2-methylprop-2-enyl)-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 54447570
(1S,9R,14R)-1,10,14-trimethyl-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 5493062
(1R,9S,10S,13S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol
CID 162462697
(1S,9S)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 15972750
azane;bis((1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol);bis((1R,9R,10R)-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol);dibromide;dihydrobromide
CID 157401518
(4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol
CID 86733867
5,5-dimethyl-1-prop-2-enyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-8-ol
CID 134118599
(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
CID 76961759

Frequently Asked Questions

What is the IUPAC name of (4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
The IUPAC name of (4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol (CID 54496451) is (4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol.
What is the SMILES notation for (4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
The canonical SMILES for (4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol is CN1CCC[C@@H]2[C@@H]1Cc1ccc(O)cc1C2(C)C.
What is the InChIKey of (4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
The InChIKey is XZLGSTGEGFDDAB-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)13-5-4-8-17(3)15(13)9-11-6-7-12(18)10-14(11)16/h6-7,10,13,15,18H,4-5,8-9H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of (4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
(4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol has a molecular weight of 245.37 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol is sourced from PubChem (CID 54496451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).