9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine

C34H36N2O2 — CID 145173027

IUPAC9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine
SMILESCCc1c(OCc2ccccc2)c/c(=N\CC2CCCO2)n2c1-c1ccc(Cc3ccccc3)cc1CC2
InChIInChI=1S/C34H36N2O2/c1-2-30-32(38-24-26-12-7-4-8-13-26)22-33(35-23-29-14-9-19-37-29)36-18-17-28-21-27(15-16-31(28)34(30)36)20-25-10-5-3-6-11-25/h3-8,10-13,15-16,21-22,29H,2,9,14,17-20,23-24H2,1H3/b35-33+
InChIKeyPFTZDNOPHZYAHD-LAPDZXRHSA-N
MW504.67 g/mol
LogP6.52
Rot. Bonds8

About 9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine

9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine (PubChem CID 145173027) has the molecular formula C34H36N2O2 and a molecular weight of 504.67 g/mol. Its IUPAC name is 9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine.

Molecular Properties

Compound Name9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine
PubChem CID145173027
Molecular FormulaC34H36N2O2
Molecular Weight504.67 g/mol
Exact Mass504.28
IUPAC Name9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine
SMILESCCc1c(OCc2ccccc2)c/c(=N\CC2CCCO2)n2c1-c1ccc(Cc3ccccc3)cc1CC2
InChIInChI=1S/C34H36N2O2/c1-2-30-32(38-24-26-12-7-4-8-13-26)22-33(35-23-29-14-9-19-37-29)36-18-17-28-21-27(15-16-31(28)34(30)36)20-25-10-5-3-6-11-25/h3-8,10-13,15-16,21-22,29H,2,9,14,17-20,23-24H2,1H3/b35-33+
InChIKeyPFTZDNOPHZYAHD-LAPDZXRHSA-N
XLogP6.52
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine with MolForge

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Related Compounds

4-[[(2R)-1,4-dioxan-2-yl]methylamino]-1,9-dimethyl-6,7-dihydrobenzo[a]quinolizin-2-one;N-[[(2R)-1,4-dioxan-2-yl]methyl]-1,9-dimethyl-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine
CID 162102008
7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene
CID 144528197
2-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-ethyl-9-(3-methoxybutyl)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118610045
2-[(4-benzylphenoxy)methyl]oxane
CID 173143012
4-chloro-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-2-one;4-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-2-one
CID 161345212
1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122641939
5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 123448415
2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 122641879
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17054250
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine
CID 166529965
9-(2,2-difluoroethoxy)-1-methyl-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 122650356

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine?
The IUPAC name of 9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine (CID 145173027) is 9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine.
What is the SMILES notation for 9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine?
The canonical SMILES for 9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine is CCc1c(OCc2ccccc2)c/c(=N\CC2CCCO2)n2c1-c1ccc(Cc3ccccc3)cc1CC2.
What is the InChIKey of 9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine?
The InChIKey is PFTZDNOPHZYAHD-LAPDZXRHSA-N. The full InChI is InChI=1S/C34H36N2O2/c1-2-30-32(38-24-26-12-7-4-8-13-26)22-33(35-23-29-14-9-19-37-29)36-18-17-28-21-27(15-16-31(28)34(30)36)20-25-10-5-3-6-11-25/h3-8,10-13,15-16,21-22,29H,2,9,14,17-20,23-24H2,1H3/b35-33+.
What are the key properties of 9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine?
9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine has a molecular weight of 504.67 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-ethyl-N-(oxolan-2-ylmethyl)-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-imine is sourced from PubChem (CID 145173027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).