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

C23H25N3O5 — CID 667026

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCOc1cc(CN2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)cc(OC)c1
InChIInChI=1S/C23H25N3O5/c1-14-5-6-19-16(7-14)11-23(13-25(19)2)20(27)24-22(29)26(21(23)28)12-15-8-17(30-3)10-18(9-15)31-4/h5-10H,11-13H2,1-4H3,(H,24,27,29)
InChIKeyJYGSBUIYZPBTFI-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.27
Rot. Bonds4

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

1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (PubChem CID 667026) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
PubChem CID667026
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCOc1cc(CN2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)cc(OC)c1
InChIInChI=1S/C23H25N3O5/c1-14-5-6-19-16(7-14)11-23(13-25(19)2)20(27)24-22(29)26(21(23)28)12-15-8-17(30-3)10-18(9-15)31-4/h5-10H,11-13H2,1-4H3,(H,24,27,29)
InChIKeyJYGSBUIYZPBTFI-UHFFFAOYSA-N
XLogP2.27
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (CID 667026) is 1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is COc1cc(CN2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The InChIKey is JYGSBUIYZPBTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-14-5-6-19-16(7-14)11-23(13-25(19)2)20(27)24-22(29)26(21(23)28)12-15-8-17(30-3)10-18(9-15)31-4/h5-10H,11-13H2,1-4H3,(H,24,27,29).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione has a molecular weight of 423.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is sourced from PubChem (CID 667026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).