12-benzylisochromeno[3,4-a]indolizin-5-one

C22H15NO2 — CID 102265128

IUPAC12-benzylisochromeno[3,4-a]indolizin-5-one
SMILESO=c1oc2c(c(Cc3ccccc3)n3ccccc23)c2ccccc12
InChIInChI=1S/C22H15NO2/c24-22-17-11-5-4-10-16(17)20-19(14-15-8-2-1-3-9-15)23-13-7-6-12-18(23)21(20)25-22/h1-13H,14H2
InChIKeyLQPODXBMQWLREC-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.79
Rot. Bonds2

About 12-benzylisochromeno[3,4-a]indolizin-5-one

12-benzylisochromeno[3,4-a]indolizin-5-one (PubChem CID 102265128) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 12-benzylisochromeno[3,4-a]indolizin-5-one.

Molecular Properties

Compound Name12-benzylisochromeno[3,4-a]indolizin-5-one
PubChem CID102265128
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name12-benzylisochromeno[3,4-a]indolizin-5-one
SMILESO=c1oc2c(c(Cc3ccccc3)n3ccccc23)c2ccccc12
InChIInChI=1S/C22H15NO2/c24-22-17-11-5-4-10-16(17)20-19(14-15-8-2-1-3-9-15)23-13-7-6-12-18(23)21(20)25-22/h1-13H,14H2
InChIKeyLQPODXBMQWLREC-UHFFFAOYSA-N
XLogP4.79
TPSA34.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-benzylisochromeno[3,4-a]indolizin-5-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 12-benzylisochromeno[3,4-a]indolizin-5-one?
The IUPAC name of 12-benzylisochromeno[3,4-a]indolizin-5-one (CID 102265128) is 12-benzylisochromeno[3,4-a]indolizin-5-one.
What is the SMILES notation for 12-benzylisochromeno[3,4-a]indolizin-5-one?
The canonical SMILES for 12-benzylisochromeno[3,4-a]indolizin-5-one is O=c1oc2c(c(Cc3ccccc3)n3ccccc23)c2ccccc12.
What is the InChIKey of 12-benzylisochromeno[3,4-a]indolizin-5-one?
The InChIKey is LQPODXBMQWLREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/c24-22-17-11-5-4-10-16(17)20-19(14-15-8-2-1-3-9-15)23-13-7-6-12-18(23)21(20)25-22/h1-13H,14H2.
What are the key properties of 12-benzylisochromeno[3,4-a]indolizin-5-one?
12-benzylisochromeno[3,4-a]indolizin-5-one has a molecular weight of 325.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-benzylisochromeno[3,4-a]indolizin-5-one is sourced from PubChem (CID 102265128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).