5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

C20H22N4O4 — CID 3240592

IUPAC5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCc1cccn2c(=O)c3cc(C(=O)N4CCC5(CC4)OCCO5)n(C)c3nc12
InChIInChI=1S/C20H22N4O4/c1-13-4-3-7-24-16(13)21-17-14(18(24)25)12-15(22(17)2)19(26)23-8-5-20(6-9-23)27-10-11-28-20/h3-4,7,12H,5-6,8-11H2,1-2H3
InChIKeyIDSISCFUMKTLTR-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.47
Rot. Bonds1

About 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (PubChem CID 3240592) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.

Molecular Properties

Compound Name5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
PubChem CID3240592
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCc1cccn2c(=O)c3cc(C(=O)N4CCC5(CC4)OCCO5)n(C)c3nc12
InChIInChI=1S/C20H22N4O4/c1-13-4-3-7-24-16(13)21-17-14(18(24)25)12-15(22(17)2)19(26)23-8-5-20(6-9-23)27-10-11-28-20/h3-4,7,12H,5-6,8-11H2,1-2H3
InChIKeyIDSISCFUMKTLTR-UHFFFAOYSA-N
XLogP1.47
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (CID 3240592) is 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.
What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is Cc1cccn2c(=O)c3cc(C(=O)N4CCC5(CC4)OCCO5)n(C)c3nc12.
What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The InChIKey is IDSISCFUMKTLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13-4-3-7-24-16(13)21-17-14(18(24)25)12-15(22(17)2)19(26)23-8-5-20(6-9-23)27-10-11-28-20/h3-4,7,12H,5-6,8-11H2,1-2H3.
What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one has a molecular weight of 382.42 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is sourced from PubChem (CID 3240592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).