3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one

C18H15NO3 — CID 146514409

IUPAC3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one
SMILESCC(=O)c1cn2c(cc1=O)-c1oc3cc(C)ccc3c1CC2
InChIInChI=1S/C18H15NO3/c1-10-3-4-12-13-5-6-19-9-14(11(2)20)16(21)8-15(19)18(13)22-17(12)7-10/h3-4,7-9H,5-6H2,1-2H3
InChIKeyZMKDCTXDLGZKJK-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.33
Rot. Bonds1

About 3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one

3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one (PubChem CID 146514409) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one.

Molecular Properties

Compound Name3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one
PubChem CID146514409
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one
SMILESCC(=O)c1cn2c(cc1=O)-c1oc3cc(C)ccc3c1CC2
InChIInChI=1S/C18H15NO3/c1-10-3-4-12-13-5-6-19-9-14(11(2)20)16(21)8-15(19)18(13)22-17(12)7-10/h3-4,7-9H,5-6H2,1-2H3
InChIKeyZMKDCTXDLGZKJK-UHFFFAOYSA-N
XLogP3.33
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one?
The IUPAC name of 3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one (CID 146514409) is 3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one.
What is the SMILES notation for 3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one?
The canonical SMILES for 3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one is CC(=O)c1cn2c(cc1=O)-c1oc3cc(C)ccc3c1CC2.
What is the InChIKey of 3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one?
The InChIKey is ZMKDCTXDLGZKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-10-3-4-12-13-5-6-19-9-14(11(2)20)16(21)8-15(19)18(13)22-17(12)7-10/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one?
3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one has a molecular weight of 293.32 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-10-methyl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one is sourced from PubChem (CID 146514409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).