(4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline

C15H21NO2 — CID 71412434

IUPAC(4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
SMILESCOc1cc(OC)c2c(c1)[C@H]1CCCN[C@H]1CC2
InChIInChI=1S/C15H21NO2/c1-17-10-8-13-11-4-3-7-16-14(11)6-5-12(13)15(9-10)18-2/h8-9,11,14,16H,3-7H2,1-2H3/t11-,14+/m1/s1
InChIKeyYAJBETWORMKDBP-RISCZKNCSA-N
MW247.34 g/mol
LogP2.49
Rot. Bonds2

About (4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline

(4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline (PubChem CID 71412434) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline.

Molecular Properties

Compound Name(4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
PubChem CID71412434
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
SMILESCOc1cc(OC)c2c(c1)[C@H]1CCCN[C@H]1CC2
InChIInChI=1S/C15H21NO2/c1-17-10-8-13-11-4-3-7-16-14(11)6-5-12(13)15(9-10)18-2/h8-9,11,14,16H,3-7H2,1-2H3/t11-,14+/m1/s1
InChIKeyYAJBETWORMKDBP-RISCZKNCSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline 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

(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 67194889
1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene
CID 61384882
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
(4aR,10bS)-7,9-difluoro-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 67198782
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
(4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 58294423
2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
CID 117392683
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,8-diol
CID 66629451
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
CID 117460943
5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole
CID 82622777
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166

Frequently Asked Questions

What is the IUPAC name of (4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
The IUPAC name of (4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline (CID 71412434) is (4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline.
What is the SMILES notation for (4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
The canonical SMILES for (4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline is COc1cc(OC)c2c(c1)[C@H]1CCCN[C@H]1CC2.
What is the InChIKey of (4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
The InChIKey is YAJBETWORMKDBP-RISCZKNCSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-10-8-13-11-4-3-7-16-14(11)6-5-12(13)15(9-10)18-2/h8-9,11,14,16H,3-7H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of (4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
(4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline has a molecular weight of 247.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline is sourced from PubChem (CID 71412434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).