[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone

C20H19N3O3 — CID 136565543

IUPAC[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone
SMILESO=C(c1nncc2ccccc12)N1CC2(CCOCC2)C1c1ccco1
InChIInChI=1S/C20H19N3O3/c24-19(17-15-5-2-1-4-14(15)12-21-22-17)23-13-20(7-10-25-11-8-20)18(23)16-6-3-9-26-16/h1-6,9,12,18H,7-8,10-11,13H2
InChIKeyRNYCPRVOIKQSEW-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.22
Rot. Bonds2

About [3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone

[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone (PubChem CID 136565543) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is [3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone.

Molecular Properties

Compound Name[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone
PubChem CID136565543
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone
SMILESO=C(c1nncc2ccccc12)N1CC2(CCOCC2)C1c1ccco1
InChIInChI=1S/C20H19N3O3/c24-19(17-15-5-2-1-4-14(15)12-21-22-17)23-13-20(7-10-25-11-8-20)18(23)16-6-3-9-26-16/h1-6,9,12,18H,7-8,10-11,13H2
InChIKeyRNYCPRVOIKQSEW-UHFFFAOYSA-N
XLogP3.22
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone?
The IUPAC name of [3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone (CID 136565543) is [3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone.
What is the SMILES notation for [3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone?
The canonical SMILES for [3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone is O=C(c1nncc2ccccc12)N1CC2(CCOCC2)C1c1ccco1.
What is the InChIKey of [3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone?
The InChIKey is RNYCPRVOIKQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(17-15-5-2-1-4-14(15)12-21-22-17)23-13-20(7-10-25-11-8-20)18(23)16-6-3-9-26-16/h1-6,9,12,18H,7-8,10-11,13H2.
What are the key properties of [3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone?
[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone has a molecular weight of 349.39 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]-phthalazin-1-ylmethanone is sourced from PubChem (CID 136565543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).