6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one

C20H22ClN3O4 — CID 5046312

IUPAC6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H22ClN3O4/c21-16-3-1-15(2-4-16)17-5-6-19(26)24(22-17)10-7-18(25)23-11-8-20(9-12-23)27-13-14-28-20/h1-6H,7-14H2
InChIKeyXTSQGPJSTBLNNY-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.32
Rot. Bonds4

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

6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one (PubChem CID 5046312) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one
PubChem CID5046312
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Name6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H22ClN3O4/c21-16-3-1-15(2-4-16)17-5-6-19(26)24(22-17)10-7-18(25)23-11-8-20(9-12-23)27-13-14-28-20/h1-6H,7-14H2
InChIKeyXTSQGPJSTBLNNY-UHFFFAOYSA-N
XLogP2.32
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one with MolForge

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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
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 3550503
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-morpholin-4-yl-3-oxopropyl)pyridazin-3(2H)-one
CID 3238759
ethyl 4-{3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]propanoyl}piperazine-1-carboxylate
CID 3236650
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 6624480
6-(4-Chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,5-dihydropyridazin-3-one
CID 122176498
2-[3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6-phenylpyridazin-3-one
CID 3364816
6-(4-Chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one
CID 3611293
6-(4-Chlorophenyl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 5080000
(Z)-4-(4-chlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-iminobut-2-enamide
CID 134593357
2-(2-(1,3-dioxolan-2-yl)ethyl)-6-(4-chlorophenyl)pyridazin-3(2H)-one
CID 45519980

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one (CID 5046312) is 6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one is O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one?
The InChIKey is XTSQGPJSTBLNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c21-16-3-1-15(2-4-16)17-5-6-19(26)24(22-17)10-7-18(25)23-11-8-20(9-12-23)27-13-14-28-20/h1-6H,7-14H2.
What are the key properties of 6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one?
6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one has a molecular weight of 403.87 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyridazin-3-one is sourced from PubChem (CID 5046312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).