4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one

C24H23N3O3 — CID 136967708

IUPAC4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one
SMILESO=C(C1CC2(C1)CC(c1n[nH]c(=O)c3cccc(O)c13)C2)N1CCc2ccccc21
InChIInChI=1S/C24H23N3O3/c28-19-7-3-5-17-20(19)21(25-26-22(17)29)15-10-24(11-15)12-16(13-24)23(30)27-9-8-14-4-1-2-6-18(14)27/h1-7,15-16,28H,8-13H2,(H,26,29)
InChIKeySVWZKPKGNJSQJM-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.49
Rot. Bonds2

About 4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one

4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one (PubChem CID 136967708) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one
PubChem CID136967708
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one
SMILESO=C(C1CC2(C1)CC(c1n[nH]c(=O)c3cccc(O)c13)C2)N1CCc2ccccc21
InChIInChI=1S/C24H23N3O3/c28-19-7-3-5-17-20(19)21(25-26-22(17)29)15-10-24(11-15)12-16(13-24)23(30)27-9-8-14-4-1-2-6-18(14)27/h1-7,15-16,28H,8-13H2,(H,26,29)
InChIKeySVWZKPKGNJSQJM-UHFFFAOYSA-N
XLogP3.49
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-indole;4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-2H-phthalazin-1-one;6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptane-2-carboxylic acid
CID 162046271
4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one
CID 118661389
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 90725768
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400843
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one
CID 110702568
(5-cyclopropyl-1H-pyrazol-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 19591093
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one
CID 4794809
2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087516
5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid
CID 146101749

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one?
The IUPAC name of 4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one (CID 136967708) is 4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one is O=C(C1CC2(C1)CC(c1n[nH]c(=O)c3cccc(O)c13)C2)N1CCc2ccccc21.
What is the InChIKey of 4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one?
The InChIKey is SVWZKPKGNJSQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-19-7-3-5-17-20(19)21(25-26-22(17)29)15-10-24(11-15)12-16(13-24)23(30)27-9-8-14-4-1-2-6-18(14)27/h1-7,15-16,28H,8-13H2,(H,26,29).
What are the key properties of 4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one?
4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one has a molecular weight of 401.47 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one is sourced from PubChem (CID 136967708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).