(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline

C14H19NO — CID 67194889

IUPAC(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
SMILESCOc1ccc2c(c1)[C@@H]1CCCN[C@@H]1CC2
InChIInChI=1S/C14H19NO/c1-16-11-6-4-10-5-7-14-12(13(10)9-11)3-2-8-15-14/h4,6,9,12,14-15H,2-3,5,7-8H2,1H3/t12-,14+/m0/s1
InChIKeyRBZIBEPPCSRMRU-GXTWGEPZSA-N
MW217.31 g/mol
LogP2.48
Rot. Bonds1

About (4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline

(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline (PubChem CID 67194889) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline.

Molecular Properties

Compound Name(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
PubChem CID67194889
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
SMILESCOc1ccc2c(c1)[C@@H]1CCCN[C@@H]1CC2
InChIInChI=1S/C14H19NO/c1-16-11-6-4-10-5-7-14-12(13(10)9-11)3-2-8-15-14/h4,6,9,12,14-15H,2-3,5,7-8H2,1H3/t12-,14+/m0/s1
InChIKeyRBZIBEPPCSRMRU-GXTWGEPZSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline with MolForge

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Related Compounds

(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
(4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 71412434
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-9-carbonitrile
CID 86654076
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 79368569
(4aS,7aS)-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678980
(2S,7S)-14-methoxy-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
CID 3068861
N-ethyl-7-methoxy-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603727
(4aS,10bR)-10-[(4-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 86654148
10-[(4-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 67194056
(4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 58294423
(3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene
CID 155392745

Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
The IUPAC name of (4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline (CID 67194889) is (4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline.
What is the SMILES notation for (4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
The canonical SMILES for (4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline is COc1ccc2c(c1)[C@@H]1CCCN[C@@H]1CC2.
What is the InChIKey of (4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
The InChIKey is RBZIBEPPCSRMRU-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-11-6-4-10-5-7-14-12(13(10)9-11)3-2-8-15-14/h4,6,9,12,14-15H,2-3,5,7-8H2,1H3/t12-,14+/m0/s1.
What are the key properties of (4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline has a molecular weight of 217.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline is sourced from PubChem (CID 67194889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).