1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione

C21H19NO3 — CID 122641936

IUPAC1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione
SMILESCC1=C2c3ccc(OCc4ccccc4)cc3CCN2C(=O)CC1=O
InChIInChI=1S/C21H19NO3/c1-14-19(23)12-20(24)22-10-9-16-11-17(7-8-18(16)21(14)22)25-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3
InChIKeyCSIVQSHCWKFVDK-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.35
Rot. Bonds3

About 1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione

1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione (PubChem CID 122641936) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione.

Molecular Properties

Compound Name1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione
PubChem CID122641936
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione
SMILESCC1=C2c3ccc(OCc4ccccc4)cc3CCN2C(=O)CC1=O
InChIInChI=1S/C21H19NO3/c1-14-19(23)12-20(24)22-10-9-16-11-17(7-8-18(16)21(14)22)25-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3
InChIKeyCSIVQSHCWKFVDK-UHFFFAOYSA-N
XLogP3.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
ethyl 2-methyl-2-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate
CID 23525929
2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 122641879
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride
CID 139438489
N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide
CID 57280943
(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid
CID 68909509
(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
CID 129096575
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 1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione?
The IUPAC name of 1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione (CID 122641936) is 1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione.
What is the SMILES notation for 1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione?
The canonical SMILES for 1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione is CC1=C2c3ccc(OCc4ccccc4)cc3CCN2C(=O)CC1=O.
What is the InChIKey of 1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione?
The InChIKey is CSIVQSHCWKFVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-14-19(23)12-20(24)22-10-9-16-11-17(7-8-18(16)21(14)22)25-13-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione?
1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-2,4-dione is sourced from PubChem (CID 122641936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).