6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one

C19H22ClN3O4 — CID 122176498

IUPAC6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one
SMILESO=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H22ClN3O4/c20-15-3-1-14(2-4-15)16-5-6-17(24)23(21-16)13-18(25)22-9-7-19(8-10-22)26-11-12-27-19/h1-4H,5-13H2
InChIKeyXOVUUMSJUJWMJI-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.03
Rot. Bonds3

About 6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one

6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one (PubChem CID 122176498) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one
PubChem CID122176498
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one
SMILESO=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H22ClN3O4/c20-15-3-1-14(2-4-15)16-5-6-17(24)23(21-16)13-18(25)22-9-7-19(8-10-22)26-11-12-27-19/h1-4H,5-13H2
InChIKeyXOVUUMSJUJWMJI-UHFFFAOYSA-N
XLogP2.03
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one
CID 4061012
6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]pyridazin-3(2H)-one
CID 4423280
6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]pyridazin-3(2H)-one
CID 5046312
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 6624480
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[3-(propan-2-yloxy)propyl]acetamide
CID 15997936
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 20968205
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 20968209
2-[2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one
CID 20968259
2-[2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 20968350
Ethyl 4-{2-[3-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]acetamido}piperidine-1-carboxylate
CID 45107060
6-(4-Chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one
CID 122176499
1-[3-(4-Chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 46030355

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one (CID 122176498) is 6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one is O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one?
The InChIKey is XOVUUMSJUJWMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c20-15-3-1-14(2-4-15)16-5-6-17(24)23(21-16)13-18(25)22-9-7-19(8-10-22)26-11-12-27-19/h1-4H,5-13H2.
What are the key properties of 6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one?
6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one has a molecular weight of 391.86 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 122176498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).