1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

C21H21N3O3 — CID 665844

IUPAC1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCc1cccc(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1
InChIInChI=1S/C21H21N3O3/c1-13-5-4-6-16(10-13)24-19(26)21(18(25)22-20(24)27)11-15-9-14(2)7-8-17(15)23(3)12-21/h4-10H,11-12H2,1-3H3,(H,22,25,27)
InChIKeyMLPUERASAJNOJS-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.57
Rot. Bonds1

About 1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (PubChem CID 665844) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.

Molecular Properties

Compound Name1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
PubChem CID665844
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCc1cccc(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1
InChIInChI=1S/C21H21N3O3/c1-13-5-4-6-16(10-13)24-19(26)21(18(25)22-20(24)27)11-15-9-14(2)7-8-17(15)23(3)12-21/h4-10H,11-12H2,1-3H3,(H,22,25,27)
InChIKeyMLPUERASAJNOJS-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The IUPAC name of 1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (CID 665844) is 1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
What is the SMILES notation for 1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The canonical SMILES for 1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is Cc1cccc(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1.
What is the InChIKey of 1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The InChIKey is MLPUERASAJNOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-5-4-6-16(10-13)24-19(26)21(18(25)22-20(24)27)11-15-9-14(2)7-8-17(15)23(3)12-21/h4-10H,11-12H2,1-3H3,(H,22,25,27).
What are the key properties of 1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione has a molecular weight of 363.42 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',6'-dimethyl-1-(3-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is sourced from PubChem (CID 665844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).