3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one

C20H25N3O4 — CID 90537434

IUPAC3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CC3(COC(C)(C)OC3)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H25N3O4/c1-5-22-8-15(16(24)14-7-6-13(2)21-17(14)22)18(25)23-9-20(10-23)11-26-19(3,4)27-12-20/h6-8H,5,9-12H2,1-4H3
InChIKeyOPMLVEHXJWSRIQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.95
Rot. Bonds2

About 3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one

3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one (PubChem CID 90537434) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
PubChem CID90537434
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CC3(COC(C)(C)OC3)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H25N3O4/c1-5-22-8-15(16(24)14-7-6-13(2)21-17(14)22)18(25)23-9-20(10-23)11-26-19(3,4)27-12-20/h6-8H,5,9-12H2,1-4H3
InChIKeyOPMLVEHXJWSRIQ-UHFFFAOYSA-N
XLogP1.95
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one (CID 90537434) is 3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CC3(COC(C)(C)OC3)C2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is OPMLVEHXJWSRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-5-22-8-15(16(24)14-7-6-13(2)21-17(14)22)18(25)23-9-20(10-23)11-26-19(3,4)27-12-20/h6-8H,5,9-12H2,1-4H3.
What are the key properties of 3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 371.44 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 90537434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).