4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

C21H21NO2 — CID 11313212

IUPAC4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(OCc4ccccc4)ccc3N2CCC1=O
InChIInChI=1S/C21H21NO2/c1-15-19-9-7-17-13-18(24-14-16-5-3-2-4-6-16)8-10-20(17)22(19)12-11-21(15)23/h2-6,8,10,13H,7,9,11-12,14H2,1H3
InChIKeyWMUVUIHDXNVONA-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.26
Rot. Bonds3

About 4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 11313212) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID11313212
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(OCc4ccccc4)ccc3N2CCC1=O
InChIInChI=1S/C21H21NO2/c1-15-19-9-7-17-13-18(24-14-16-5-3-2-4-6-16)8-10-20(17)22(19)12-11-21(15)23/h2-6,8,10,13H,7,9,11-12,14H2,1H3
InChIKeyWMUVUIHDXNVONA-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23606545
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CID 42631252
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CID 755245
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CID 10090854

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 11313212) is 4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is CC1=C2CCc3cc(OCc4ccccc4)ccc3N2CCC1=O.
What is the InChIKey of 4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is WMUVUIHDXNVONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15-19-9-7-17-13-18(24-14-16-5-3-2-4-6-16)8-10-20(17)22(19)12-11-21(15)23/h2-6,8,10,13H,7,9,11-12,14H2,1H3.
What are the key properties of 4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 319.40 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-phenylmethoxy-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 11313212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).