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

C21H21N3O4 — CID 666293

IUPAC1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCOc1ccccc1N1C(=O)NC(=O)C2(Cc3cc(C)ccc3N(C)C2)C1=O
InChIInChI=1S/C21H21N3O4/c1-13-8-9-15-14(10-13)11-21(12-23(15)2)18(25)22-20(27)24(19(21)26)16-6-4-5-7-17(16)28-3/h4-10H,11-12H2,1-3H3,(H,22,25,27)
InChIKeyMTGQGBKKBSMQCF-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.27
Rot. Bonds2

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

1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (PubChem CID 666293) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
PubChem CID666293
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCOc1ccccc1N1C(=O)NC(=O)C2(Cc3cc(C)ccc3N(C)C2)C1=O
InChIInChI=1S/C21H21N3O4/c1-13-8-9-15-14(10-13)11-21(12-23(15)2)18(25)22-20(27)24(19(21)26)16-6-4-5-7-17(16)28-3/h4-10H,11-12H2,1-3H3,(H,22,25,27)
InChIKeyMTGQGBKKBSMQCF-UHFFFAOYSA-N
XLogP2.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 122065
CID 122065
CID 10340555
CID 10340555
CID 665820
CID 665820
CID 122064
CID 122064
CID 667009
CID 667009
CID 667026
CID 667026
CID 665347
CID 665347
CID 3067090
CID 3067090
CID 3067091
CID 3067091
CID 3067092
CID 3067092
CID 6448083
CID 6448083
CID 6448086
CID 6448086

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The IUPAC name of 1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (CID 666293) is 1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
What is the SMILES notation for 1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The canonical SMILES for 1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is COc1ccccc1N1C(=O)NC(=O)C2(Cc3cc(C)ccc3N(C)C2)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The InChIKey is MTGQGBKKBSMQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-8-9-15-14(10-13)11-21(12-23(15)2)18(25)22-20(27)24(19(21)26)16-6-4-5-7-17(16)28-3/h4-10H,11-12H2,1-3H3,(H,22,25,27).
What are the key properties of 1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione has a molecular weight of 379.42 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is sourced from PubChem (CID 666293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).