(2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione

C20H22N6O4 — CID 67319170

IUPAC(2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione
SMILESC[C@@H]1CN2c3ccc(-c4cncn4C)nc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C20H22N6O4/c1-10-8-26-14-5-4-12(15-7-21-9-25(15)3)22-13(14)6-20(16(26)11(2)30-10)17(27)23-19(29)24-18(20)28/h4-5,7,9-11,16H,6,8H2,1-3H3,(H2,23,24,27,28,29)/t10-,11+,16-/m1/s1
InChIKeyYUPITUYRXAJKMV-OHUAYANFSA-N
MW410.43 g/mol
LogP0.37
Rot. Bonds1

About (2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione

(2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione (PubChem CID 67319170) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is (2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione.

Molecular Properties

Compound Name(2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione
PubChem CID67319170
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name(2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione
SMILESC[C@@H]1CN2c3ccc(-c4cncn4C)nc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C20H22N6O4/c1-10-8-26-14-5-4-12(15-7-21-9-25(15)3)22-13(14)6-20(16(26)11(2)30-10)17(27)23-19(29)24-18(20)28/h4-5,7,9-11,16H,6,8H2,1-3H3,(H2,23,24,27,28,29)/t10-,11+,16-/m1/s1
InChIKeyYUPITUYRXAJKMV-OHUAYANFSA-N
XLogP0.37
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione?
The IUPAC name of (2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione (CID 67319170) is (2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione.
What is the SMILES notation for (2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione?
The canonical SMILES for (2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione is C[C@@H]1CN2c3ccc(-c4cncn4C)nc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.
What is the InChIKey of (2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione?
The InChIKey is YUPITUYRXAJKMV-OHUAYANFSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-10-8-26-14-5-4-12(15-7-21-9-25(15)3)22-13(14)6-20(16(26)11(2)30-10)17(27)23-19(29)24-18(20)28/h4-5,7,9-11,16H,6,8H2,1-3H3,(H2,23,24,27,28,29)/t10-,11+,16-/m1/s1.
What are the key properties of (2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione?
(2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione has a molecular weight of 410.43 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,4'S,4'aS)-2',4'-dimethyl-8'-(3-methylimidazol-4-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine]-2,4,6-trione is sourced from PubChem (CID 67319170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).