6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione

C19H18N2O5 — CID 167470890

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N4CCC5(CC4)OCCO5)ccc(c23)C(=O)N1O
InChIInChI=1S/C19H18N2O5/c22-17-13-3-1-2-12-15(5-4-14(16(12)13)18(23)21(17)24)20-8-6-19(7-9-20)25-10-11-26-19/h1-5,24H,6-11H2
InChIKeyXFOZQCQONSQVIQ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.17
Rot. Bonds1

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione (PubChem CID 167470890) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione
PubChem CID167470890
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N4CCC5(CC4)OCCO5)ccc(c23)C(=O)N1O
InChIInChI=1S/C19H18N2O5/c22-17-13-3-1-2-12-15(5-4-14(16(12)13)18(23)21(17)24)20-8-6-19(7-9-20)25-10-11-26-19/h1-5,24H,6-11H2
InChIKeyXFOZQCQONSQVIQ-UHFFFAOYSA-N
XLogP2.17
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

8-pyrrolidin-1-yl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 15538594
2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 1105075
6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 23731504
N-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)acetamide
CID 5202158
2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl acetate
CID 541279
N-[4-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)phenyl]acetamide
CID 1108555
6-(azetidin-1-yl)-2-[2-(2,5-dioxopyrrol-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione
CID 171716666
6-morpholin-4-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzo[de]isoquinoline-1,3-dione
CID 164793560
2-(4-iodophenyl)-6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 23912967
2-(2-phenylethyl)-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 15374734
8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20610156
2-[2-[3-[2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 89343143

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione (CID 167470890) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(N4CCC5(CC4)OCCO5)ccc(c23)C(=O)N1O.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is XFOZQCQONSQVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-17-13-3-1-2-12-15(5-4-14(16(12)13)18(23)21(17)24)20-8-6-19(7-9-20)25-10-11-26-19/h1-5,24H,6-11H2.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 354.36 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 167470890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).