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

C14H19NO — CID 58294423

IUPAC(4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
SMILESCOc1cccc2c1C1CCCN[C@H]1CC2
InChIInChI=1S/C14H19NO/c1-16-13-6-2-4-10-7-8-12-11(14(10)13)5-3-9-15-12/h2,4,6,11-12,15H,3,5,7-9H2,1H3/t11?,12-/m0/s1
InChIKeyBTORUPLYSBZCQJ-KIYNQFGBSA-N
MW217.31 g/mol
LogP2.48
Rot. Bonds1

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

(4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline (PubChem CID 58294423) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline.

Molecular Properties

Compound Name(4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
PubChem CID58294423
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
SMILESCOc1cccc2c1C1CCCN[C@H]1CC2
InChIInChI=1S/C14H19NO/c1-16-13-6-2-4-10-7-8-12-11(14(10)13)5-3-9-15-12/h2,4,6,11-12,15H,3,5,7-9H2,1H3/t11?,12-/m0/s1
InChIKeyBTORUPLYSBZCQJ-KIYNQFGBSA-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 (4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline with MolForge

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Related Compounds

(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
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 105453860
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 105469179
(8aR,12aS,13aS)-1-methoxy-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 57120161
[(3aR,9bS)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-9-yl] N,N-dimethylcarbamate;hydrochloride
CID 67853027
(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 67194889
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 67538348
8-pyrrolidin-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 118008523
(4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 71412434
(3aS,9aR)-8-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
CID 54561720

Frequently Asked Questions

What is the IUPAC name of (4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
The IUPAC name of (4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline (CID 58294423) is (4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline.
What is the SMILES notation for (4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
The canonical SMILES for (4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline is COc1cccc2c1C1CCCN[C@H]1CC2.
What is the InChIKey of (4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
The InChIKey is BTORUPLYSBZCQJ-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-13-6-2-4-10-7-8-12-11(14(10)13)5-3-9-15-12/h2,4,6,11-12,15H,3,5,7-9H2,1H3/t11?,12-/m0/s1.
What are the key properties of (4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline?
(4aS)-10-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 (4aS)-10-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline is sourced from PubChem (CID 58294423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).