9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline

C24H17NO3 — CID 118115320

IUPAC9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1ccc2c(c1)oc1ccc(Cc3cncc4cc5c(cc34)OCCO5)cc12
InChIInChI=1S/C24H17NO3/c1-2-4-21-18(3-1)20-10-15(5-6-22(20)28-21)9-16-13-25-14-17-11-23-24(12-19(16)17)27-8-7-26-23/h1-6,10-14H,7-9H2
InChIKeyIUVUVBMGAXQCLI-UHFFFAOYSA-N
MW367.40 g/mol
LogP5.50
Rot. Bonds2

About 9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline

9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline (PubChem CID 118115320) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline.

Molecular Properties

Compound Name9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
PubChem CID118115320
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1ccc2c(c1)oc1ccc(Cc3cncc4cc5c(cc34)OCCO5)cc12
InChIInChI=1S/C24H17NO3/c1-2-4-21-18(3-1)20-10-15(5-6-22(20)28-21)9-16-13-25-14-17-11-23-24(12-19(16)17)27-8-7-26-23/h1-6,10-14H,7-9H2
InChIKeyIUVUVBMGAXQCLI-UHFFFAOYSA-N
XLogP5.50
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline 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 9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The IUPAC name of 9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline (CID 118115320) is 9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline.
What is the SMILES notation for 9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The canonical SMILES for 9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline is c1ccc2c(c1)oc1ccc(Cc3cncc4cc5c(cc34)OCCO5)cc12.
What is the InChIKey of 9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The InChIKey is IUVUVBMGAXQCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c1-2-4-21-18(3-1)20-10-15(5-6-22(20)28-21)9-16-13-25-14-17-11-23-24(12-19(16)17)27-8-7-26-23/h1-6,10-14H,7-9H2.
What are the key properties of 9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline has a molecular weight of 367.40 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dibenzofuran-2-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline is sourced from PubChem (CID 118115320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).