2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one

C17H14N2O2 — CID 167914139

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one
SMILESCc1nn(-c2ccc3c(c2)CCO3)c(=O)c2ccccc12
InChIInChI=1S/C17H14N2O2/c1-11-14-4-2-3-5-15(14)17(20)19(18-11)13-6-7-16-12(10-13)8-9-21-16/h2-7,10H,8-9H2,1H3
InChIKeyVSVBMIYKVAZBMW-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.63
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one

2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one (PubChem CID 167914139) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one
PubChem CID167914139
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one
SMILESCc1nn(-c2ccc3c(c2)CCO3)c(=O)c2ccccc12
InChIInChI=1S/C17H14N2O2/c1-11-14-4-2-3-5-15(14)17(20)19(18-11)13-6-7-16-12(10-13)8-9-21-16/h2-7,10H,8-9H2,1H3
InChIKeyVSVBMIYKVAZBMW-UHFFFAOYSA-N
XLogP2.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one (CID 167914139) is 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one is Cc1nn(-c2ccc3c(c2)CCO3)c(=O)c2ccccc12.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one?
The InChIKey is VSVBMIYKVAZBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-14-4-2-3-5-15(14)17(20)19(18-11)13-6-7-16-12(10-13)8-9-21-16/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one?
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one has a molecular weight of 278.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one is sourced from PubChem (CID 167914139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).