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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Related Compounds

1-Benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 52952783
4-[2-(4-Fluoro-2,6-dimethylphenoxy)-6-(2-oxobut-3-enyl)phenyl]-2-methylphthalazin-1-one
CID 157176141
4-[2-(4-Fluoro-2,6-dimethylphenoxy)-6-(2-oxobut-3-ynyl)phenyl]-2-methylphthalazin-1-one
CID 160687414
3,6,7-trimethyl-N-[2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-1-benzofuran-2-carboxamide
CID 42189781
Benzhydrazide, N2-[1-(2-dibenzo[b,d]furyl)ethylidene]-
CID 9602533
2-Benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one
CID 11574493
4-(2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-yl)-2-methylphthalazin-1-one
CID 18732276
2-Methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one
CID 58403093
2-Methyl-4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phthalazin-1-one
CID 59317509
2-Methyl-4-[4-[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenoxy]phenyl]phthalazin-1-one
CID 59317513
4-Phenyl-12-oxa-5,6-diazapentacyclo[11.5.3.28,11.02,6.016,20]tricosa-1(19),4,8(23),9,11(22),13(21),14,16(20),17-nonaen-7-one
CID 71198101
2-Methyl-6-(2-phenoxyphenyl)-5-[4-(pyrrolidine-1-carbonyl)phenyl]pyridazin-3-one
CID 90016842

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).