6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one

C24H21F2N3O2 — CID 176752233

IUPAC6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one
SMILESO=C1NNCc2cc(-c3ccc4ccc(C(=O)N5CCC(F)(F)CC5)cc4c3)ccc21
InChIInChI=1S/C24H21F2N3O2/c25-24(26)7-9-29(10-8-24)23(31)18-4-2-15-1-3-16(11-19(15)13-18)17-5-6-21-20(12-17)14-27-28-22(21)30/h1-6,11-13,27H,7-10,14H2,(H,28,30)
InChIKeyGTGVUYRULZIPJB-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.13
Rot. Bonds2

About 6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one

6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one (PubChem CID 176752233) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one
PubChem CID176752233
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one
SMILESO=C1NNCc2cc(-c3ccc4ccc(C(=O)N5CCC(F)(F)CC5)cc4c3)ccc21
InChIInChI=1S/C24H21F2N3O2/c25-24(26)7-9-29(10-8-24)23(31)18-4-2-15-1-3-16(11-19(15)13-18)17-5-6-21-20(12-17)14-27-28-22(21)30/h1-6,11-13,27H,7-10,14H2,(H,28,30)
InChIKeyGTGVUYRULZIPJB-UHFFFAOYSA-N
XLogP4.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one with MolForge

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Related Compounds

3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 154667156
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
5-[2-amino-4-(4,4-difluoropiperidine-1-carbonyl)benzenecarboximidoyl]-2,3-dihydroisoindol-1-one
CID 156811157
5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154667161
5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one
CID 154995043
3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one
CID 122559227
5-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydroisoindol-1-one
CID 154995296
1'-(naphthalene-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077696
(6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 126602255
4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzamide
CID 154667267
CID 163676622
CID 163676622
(4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone
CID 174898820

Frequently Asked Questions

What is the IUPAC name of 6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one?
The IUPAC name of 6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one (CID 176752233) is 6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one.
What is the SMILES notation for 6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one?
The canonical SMILES for 6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one is O=C1NNCc2cc(-c3ccc4ccc(C(=O)N5CCC(F)(F)CC5)cc4c3)ccc21.
What is the InChIKey of 6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one?
The InChIKey is GTGVUYRULZIPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c25-24(26)7-9-29(10-8-24)23(31)18-4-2-15-1-3-16(11-19(15)13-18)17-5-6-21-20(12-17)14-27-28-22(21)30/h1-6,11-13,27H,7-10,14H2,(H,28,30).
What are the key properties of 6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one?
6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one has a molecular weight of 421.45 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one is sourced from PubChem (CID 176752233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).