4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one

C20H19N3O2 — CID 2634603

IUPAC4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C20H19N3O2/c1-2-12-23-19(24)16-9-5-4-8-15(16)18(21-23)20(25)22-13-11-14-7-3-6-10-17(14)22/h3-10H,2,11-13H2,1H3
InChIKeyFUNISDABYUIYDL-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.01
Rot. Bonds3

About 4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one

4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one (PubChem CID 2634603) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one
PubChem CID2634603
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C20H19N3O2/c1-2-12-23-19(24)16-9-5-4-8-15(16)18(21-23)20(25)22-13-11-14-7-3-6-10-17(14)22/h3-10H,2,11-13H2,1H3
InChIKeyFUNISDABYUIYDL-UHFFFAOYSA-N
XLogP3.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one (CID 2634603) is 4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one is CCCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one?
The InChIKey is FUNISDABYUIYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-12-23-19(24)16-9-5-4-8-15(16)18(21-23)20(25)22-13-11-14-7-3-6-10-17(14)22/h3-10H,2,11-13H2,1H3.
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one?
4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one has a molecular weight of 333.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindole-1-carbonyl)-2-propylphthalazin-1-one is sourced from PubChem (CID 2634603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).