2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one

C22H21NO3 — CID 122641879

IUPAC2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1cc(=O)n2c(c1C)-c1ccc(OCc3ccccc3)cc1CC2
InChIInChI=1S/C22H21NO3/c1-15-20(25-2)13-21(24)23-11-10-17-12-18(8-9-19(17)22(15)23)26-14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyXWBNCANTUJDYJV-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.97
Rot. Bonds4

About 2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one

2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 122641879) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID122641879
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1cc(=O)n2c(c1C)-c1ccc(OCc3ccccc3)cc1CC2
InChIInChI=1S/C22H21NO3/c1-15-20(25-2)13-21(24)23-11-10-17-12-18(8-9-19(17)22(15)23)26-14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyXWBNCANTUJDYJV-UHFFFAOYSA-N
XLogP3.97
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2,2-difluoroethoxy)-1-methyl-2-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 122650356
1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione
CID 122641936
ethyl 2-methyl-2-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate
CID 23525929
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
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 144982882
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide
CID 57280943
5,6-dimethyl-2-phenylmethoxyfluoren-9-one
CID 82579583
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609947

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one (CID 122641879) is 2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one is COc1cc(=O)n2c(c1C)-c1ccc(OCc3ccccc3)cc1CC2.
What is the InChIKey of 2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is XWBNCANTUJDYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-15-20(25-2)13-21(24)23-11-10-17-12-18(8-9-19(17)22(15)23)26-14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3.
What are the key properties of 2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one?
2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 347.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 122641879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).