4-(1H-indol-3-yl)-2H-phthalazin-1-one

C16H11N3O — CID 135533216

IUPAC4-(1H-indol-3-yl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2c[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C16H11N3O/c20-16-12-7-2-1-6-11(12)15(18-19-16)13-9-17-14-8-4-3-5-10(13)14/h1-9,17H,(H,19,20)
InChIKeyAYYPIGLASGDSIK-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.07
Rot. Bonds1

About 4-(1H-indol-3-yl)-2H-phthalazin-1-one

4-(1H-indol-3-yl)-2H-phthalazin-1-one (PubChem CID 135533216) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2H-phthalazin-1-one
PubChem CID135533216
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name4-(1H-indol-3-yl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2c[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C16H11N3O/c20-16-12-7-2-1-6-11(12)15(18-19-16)13-9-17-14-8-4-3-5-10(13)14/h1-9,17H,(H,19,20)
InChIKeyAYYPIGLASGDSIK-UHFFFAOYSA-N
XLogP3.07
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2H-phthalazin-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-2H-phthalazin-1-one (CID 135533216) is 4-(1H-indol-3-yl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-2H-phthalazin-1-one is O=c1[nH]nc(-c2c[nH]c3ccccc23)c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-2H-phthalazin-1-one?
The InChIKey is AYYPIGLASGDSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-16-12-7-2-1-6-11(12)15(18-19-16)13-9-17-14-8-4-3-5-10(13)14/h1-9,17H,(H,19,20).
What are the key properties of 4-(1H-indol-3-yl)-2H-phthalazin-1-one?
4-(1H-indol-3-yl)-2H-phthalazin-1-one has a molecular weight of 261.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2H-phthalazin-1-one is sourced from PubChem (CID 135533216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).