1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

C22H23N3O3 — CID 667312

IUPAC1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O
InChIInChI=1S/C22H23N3O3/c1-13-6-8-17-16(9-13)11-22(12-24(17)4)19(26)23-21(28)25(20(22)27)18-10-14(2)5-7-15(18)3/h5-10H,11-12H2,1-4H3,(H,23,26,28)
InChIKeyMUHMMJUVRRXXHY-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.87
Rot. Bonds1

About 1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (PubChem CID 667312) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
PubChem CID667312
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O
InChIInChI=1S/C22H23N3O3/c1-13-6-8-17-16(9-13)11-22(12-24(17)4)19(26)23-21(28)25(20(22)27)18-10-14(2)5-7-15(18)3/h5-10H,11-12H2,1-4H3,(H,23,26,28)
InChIKeyMUHMMJUVRRXXHY-UHFFFAOYSA-N
XLogP2.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.87
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-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The IUPAC name of 1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (CID 667312) is 1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The InChIKey is MUHMMJUVRRXXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-6-8-17-16(9-13)11-22(12-24(17)4)19(26)23-21(28)25(20(22)27)18-10-14(2)5-7-15(18)3/h5-10H,11-12H2,1-4H3,(H,23,26,28).
What are the key properties of 1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione has a molecular weight of 377.44 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is sourced from PubChem (CID 667312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).