6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one

C21H18FN3O2 — CID 167950585

IUPAC6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1ccc2c(=O)[nH]ncc2c1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C21H18FN3O2/c22-16-4-3-5-17-18(16)21(8-1-2-9-21)12-25(17)20(27)13-6-7-15-14(10-13)11-23-24-19(15)26/h3-7,10-11H,1-2,8-9,12H2,(H,24,26)
InChIKeyVPURYGQGRXIJGE-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.53
Rot. Bonds1

About 6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one

6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one (PubChem CID 167950585) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one
PubChem CID167950585
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1ccc2c(=O)[nH]ncc2c1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C21H18FN3O2/c22-16-4-3-5-17-18(16)21(8-1-2-9-21)12-25(17)20(27)13-6-7-15-14(10-13)11-23-24-19(15)26/h3-7,10-11H,1-2,8-9,12H2,(H,24,26)
InChIKeyVPURYGQGRXIJGE-UHFFFAOYSA-N
XLogP3.53
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one?
The IUPAC name of 6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one (CID 167950585) is 6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one.
What is the SMILES notation for 6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one?
The canonical SMILES for 6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one is O=C(c1ccc2c(=O)[nH]ncc2c1)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of 6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one?
The InChIKey is VPURYGQGRXIJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-16-4-3-5-17-18(16)21(8-1-2-9-21)12-25(17)20(27)13-6-7-15-14(10-13)11-23-24-19(15)26/h3-7,10-11H,1-2,8-9,12H2,(H,24,26).
What are the key properties of 6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one?
6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one has a molecular weight of 363.39 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-2H-phthalazin-1-one is sourced from PubChem (CID 167950585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).