10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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

C20H19ClN6O5S — CID 143975146

IUPAC10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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
SMILES[H]/N=C(\c1nccs1)c1nc2c(c(Cl)c1O)N1CC(C)OC(C)C1C1(C2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C20H19ClN6O5S/c1-7-6-27-13-9(24-12(14(28)10(13)21)11(22)16-23-3-4-33-16)5-20(15(27)8(2)32-7)17(29)25-19(31)26-18(20)30/h3-4,7-8,15,22,28H,5-6H2,1-2H3,(H2,25,26,29,30,31)/b22-11-
InChIKeyLVFNJZPETWEBJB-JJFYIABZSA-N
MW490.93 g/mol
LogP1.20
Rot. Bonds2

About 10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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

10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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 143975146) has the molecular formula C20H19ClN6O5S and a molecular weight of 490.93 g/mol. Its IUPAC name is 10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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 Name10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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 CID143975146
Molecular FormulaC20H19ClN6O5S
Molecular Weight490.93 g/mol
Exact Mass490.08
IUPAC Name10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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
SMILES[H]/N=C(\c1nccs1)c1nc2c(c(Cl)c1O)N1CC(C)OC(C)C1C1(C2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C20H19ClN6O5S/c1-7-6-27-13-9(24-12(14(28)10(13)21)11(22)16-23-3-4-33-16)5-20(15(27)8(2)32-7)17(29)25-19(31)26-18(20)30/h3-4,7-8,15,22,28H,5-6H2,1-2H3,(H2,25,26,29,30,31)/b22-11-
InChIKeyLVFNJZPETWEBJB-JJFYIABZSA-N
XLogP1.20
TPSA157.60 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.93
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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 10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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 143975146) is 10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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 10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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 10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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 [H]/N=C(\c1nccs1)c1nc2c(c(Cl)c1O)N1CC(C)OC(C)C1C1(C2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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 LVFNJZPETWEBJB-JJFYIABZSA-N. The full InChI is InChI=1S/C20H19ClN6O5S/c1-7-6-27-13-9(24-12(14(28)10(13)21)11(22)16-23-3-4-33-16)5-20(15(27)8(2)32-7)17(29)25-19(31)26-18(20)30/h3-4,7-8,15,22,28H,5-6H2,1-2H3,(H2,25,26,29,30,31)/b22-11-.
What are the key properties of 10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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?
10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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 490.93 g/mol, XLogP of 1.20, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-chloro-9'-hydroxy-2',4'-dimethyl-8'-(1,3-thiazole-2-carboximidoyl)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 143975146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).