4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one

C24H18N2O3 — CID 160938429

IUPAC4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one
SMILESCn1nc(CC(=O)Cc2ccc3c(c2)oc2ccccc23)c2ccccc2c1=O
InChIInChI=1S/C24H18N2O3/c1-26-24(28)20-8-3-2-6-17(20)21(25-26)14-16(27)12-15-10-11-19-18-7-4-5-9-22(18)29-23(19)13-15/h2-11,13H,12,14H2,1H3
InChIKeyREEGIVVFAGKFMD-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.19
Rot. Bonds4

About 4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one

4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one (PubChem CID 160938429) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one
PubChem CID160938429
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one
SMILESCn1nc(CC(=O)Cc2ccc3c(c2)oc2ccccc23)c2ccccc2c1=O
InChIInChI=1S/C24H18N2O3/c1-26-24(28)20-8-3-2-6-17(20)21(25-26)14-16(27)12-15-10-11-19-18-7-4-5-9-22(18)29-23(19)13-15/h2-11,13H,12,14H2,1H3
InChIKeyREEGIVVFAGKFMD-UHFFFAOYSA-N
XLogP4.19
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one?
The IUPAC name of 4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one (CID 160938429) is 4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one.
What is the SMILES notation for 4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one?
The canonical SMILES for 4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one is Cn1nc(CC(=O)Cc2ccc3c(c2)oc2ccccc23)c2ccccc2c1=O.
What is the InChIKey of 4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one?
The InChIKey is REEGIVVFAGKFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-26-24(28)20-8-3-2-6-17(20)21(25-26)14-16(27)12-15-10-11-19-18-7-4-5-9-22(18)29-23(19)13-15/h2-11,13H,12,14H2,1H3.
What are the key properties of 4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one?
4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one has a molecular weight of 382.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one is sourced from PubChem (CID 160938429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).