6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

C22H23N3O4 — CID 667092

IUPAC6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCOc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C22H23N3O4/c1-24-14-22(13-16-12-17(29-2)8-9-18(16)24)19(26)23-21(28)25(20(22)27)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,26,28)
InChIKeyGXIZQLYKQSKVLN-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.00
Rot. Bonds4

About 6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (PubChem CID 667092) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.

Molecular Properties

Compound Name6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
PubChem CID667092
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCOc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C22H23N3O4/c1-24-14-22(13-16-12-17(29-2)8-9-18(16)24)19(26)23-21(28)25(20(22)27)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,26,28)
InChIKeyGXIZQLYKQSKVLN-UHFFFAOYSA-N
XLogP2.00
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The IUPAC name of 6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (CID 667092) is 6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
What is the SMILES notation for 6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The canonical SMILES for 6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of 6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The InChIKey is GXIZQLYKQSKVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-24-14-22(13-16-12-17(29-2)8-9-18(16)24)19(26)23-21(28)25(20(22)27)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,26,28).
What are the key properties of 6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione has a molecular weight of 393.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methoxy-1'-methyl-1-(2-phenylethyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is sourced from PubChem (CID 667092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).