(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione

C23H24N4O4 — CID 67319339

IUPAC(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione
SMILESCc1ccccc1-c1cnc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN21
InChIInChI=1S/C23H24N4O4/c1-12-6-4-5-7-17(12)16-8-15-9-23(20(28)25-22(30)26-21(23)29)18-14(3)31-13(2)11-27(18)19(15)24-10-16/h4-8,10,13-14,18H,9,11H2,1-3H3,(H2,25,26,28,29,30)/t13-,14+,18-/m1/s1
InChIKeyROYCSDLLTMRLAH-QWQRMKEZSA-N
MW420.47 g/mol
LogP1.95
Rot. Bonds1

About (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione

(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione (PubChem CID 67319339) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione.

Molecular Properties

Compound Name(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione
PubChem CID67319339
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione
SMILESCc1ccccc1-c1cnc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN21
InChIInChI=1S/C23H24N4O4/c1-12-6-4-5-7-17(12)16-8-15-9-23(20(28)25-22(30)26-21(23)29)18-14(3)31-13(2)11-27(18)19(15)24-10-16/h4-8,10,13-14,18H,9,11H2,1-3H3,(H2,25,26,28,29,30)/t13-,14+,18-/m1/s1
InChIKeyROYCSDLLTMRLAH-QWQRMKEZSA-N
XLogP1.95
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]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 (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
The IUPAC name of (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione (CID 67319339) is (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione.
What is the SMILES notation for (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
The canonical SMILES for (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione is Cc1ccccc1-c1cnc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN21.
What is the InChIKey of (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
The InChIKey is ROYCSDLLTMRLAH-QWQRMKEZSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-12-6-4-5-7-17(12)16-8-15-9-23(20(28)25-22(30)26-21(23)29)18-14(3)31-13(2)11-27(18)19(15)24-10-16/h4-8,10,13-14,18H,9,11H2,1-3H3,(H2,25,26,28,29,30)/t13-,14+,18-/m1/s1.
What are the key properties of (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione has a molecular weight of 420.47 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(2-methylphenyl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione is sourced from PubChem (CID 67319339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).