4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline

C21H25NO — CID 14039984

IUPAC4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
SMILESCOc1ccc2c(c1)C1CCCN(Cc3ccccc3)C1CC2
InChIInChI=1S/C21H25NO/c1-23-18-11-9-17-10-12-21-19(20(17)14-18)8-5-13-22(21)15-16-6-3-2-4-7-16/h2-4,6-7,9,11,14,19,21H,5,8,10,12-13,15H2,1H3
InChIKeyNSGMNJDNHSTYBY-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.39
Rot. Bonds3

About 4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline

4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline (PubChem CID 14039984) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline.

Molecular Properties

Compound Name4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
PubChem CID14039984
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
SMILESCOc1ccc2c(c1)C1CCCN(Cc3ccccc3)C1CC2
InChIInChI=1S/C21H25NO/c1-23-18-11-9-17-10-12-21-19(20(17)14-18)8-5-13-22(21)15-16-6-3-2-4-7-16/h2-4,6-7,9,11,14,19,21H,5,8,10,12-13,15H2,1H3
InChIKeyNSGMNJDNHSTYBY-UHFFFAOYSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline with MolForge

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Launch Full Analysis

Related Compounds

(3aS,9bR)-8-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 100948186
(4aS)-4-benzyl-7,8-dimethoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
CID 163741651
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473
methyl 4-benzyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7-carboxylate
CID 57041512
2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 91841165
6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one
CID 67945980
(4aS,10bS)-4-benzyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol
CID 66630752
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine
CID 59547808
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol
CID 168870314

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline?
The IUPAC name of 4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline (CID 14039984) is 4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline.
What is the SMILES notation for 4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline?
The canonical SMILES for 4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline is COc1ccc2c(c1)C1CCCN(Cc3ccccc3)C1CC2.
What is the InChIKey of 4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline?
The InChIKey is NSGMNJDNHSTYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-23-18-11-9-17-10-12-21-19(20(17)14-18)8-5-13-22(21)15-16-6-3-2-4-7-16/h2-4,6-7,9,11,14,19,21H,5,8,10,12-13,15H2,1H3.
What are the key properties of 4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline?
4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline has a molecular weight of 307.44 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-9-methoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline is sourced from PubChem (CID 14039984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).