8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

C18H17NO2 — CID 11482868

IUPAC8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(-c4ccco4)ccc3N2CCC1=O
InChIInChI=1S/C18H17NO2/c1-12-15-6-4-13-11-14(18-3-2-10-21-18)5-7-16(13)19(15)9-8-17(12)20/h2-3,5,7,10-11H,4,6,8-9H2,1H3
InChIKeyHCUDSRVNBFSULK-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.95
Rot. Bonds1

About 8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 11482868) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID11482868
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(-c4ccco4)ccc3N2CCC1=O
InChIInChI=1S/C18H17NO2/c1-12-15-6-4-13-11-14(18-3-2-10-21-18)5-7-16(13)19(15)9-8-17(12)20/h2-3,5,7,10-11H,4,6,8-9H2,1H3
InChIKeyHCUDSRVNBFSULK-UHFFFAOYSA-N
XLogP3.95
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 11482868) is 8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is CC1=C2CCc3cc(-c4ccco4)ccc3N2CCC1=O.
What is the InChIKey of 8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is HCUDSRVNBFSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-15-6-4-13-11-14(18-3-2-10-21-18)5-7-16(13)19(15)9-8-17(12)20/h2-3,5,7,10-11H,4,6,8-9H2,1H3.
What are the key properties of 8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 279.34 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 11482868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).