7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione

C26H30N6O6 — CID 4898823

IUPAC7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
SMILESCN1C(=O)N(C)C(=O)C2(Cc3cc(/N=C/c4c(O)n(C(C)(C)C)c(=O)[nH]c4=O)ccc3N3CCCC32)C1=O
InChIInChI=1S/C26H30N6O6/c1-25(2,3)32-20(34)16(19(33)28-23(32)37)13-27-15-8-9-17-14(11-15)12-26(18-7-6-10-31(17)18)21(35)29(4)24(38)30(5)22(26)36/h8-9,11,13,18,34H,6-7,10,12H2,1-5H3,(H,28,33,37)/b27-13+
InChIKeyKSQXMZCSRKZYEM-UVHMKAGCSA-N
MW522.56 g/mol
LogP1.31
Rot. Bonds2

About 7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione

7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione (PubChem CID 4898823) has the molecular formula C26H30N6O6 and a molecular weight of 522.56 g/mol. Its IUPAC name is 7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione.

Molecular Properties

Compound Name7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
PubChem CID4898823
Molecular FormulaC26H30N6O6
Molecular Weight522.56 g/mol
Exact Mass522.22
IUPAC Name7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
SMILESCN1C(=O)N(C)C(=O)C2(Cc3cc(/N=C/c4c(O)n(C(C)(C)C)c(=O)[nH]c4=O)ccc3N3CCCC32)C1=O
InChIInChI=1S/C26H30N6O6/c1-25(2,3)32-20(34)16(19(33)28-23(32)37)13-27-15-8-9-17-14(11-15)12-26(18-7-6-10-31(17)18)21(35)29(4)24(38)30(5)22(26)36/h8-9,11,13,18,34H,6-7,10,12H2,1-5H3,(H,28,33,37)/b27-13+
InChIKeyKSQXMZCSRKZYEM-UVHMKAGCSA-N
XLogP1.31
TPSA148.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.56
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione?
The IUPAC name of 7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione (CID 4898823) is 7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione.
What is the SMILES notation for 7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione?
The canonical SMILES for 7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione is CN1C(=O)N(C)C(=O)C2(Cc3cc(/N=C/c4c(O)n(C(C)(C)C)c(=O)[nH]c4=O)ccc3N3CCCC32)C1=O.
What is the InChIKey of 7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione?
The InChIKey is KSQXMZCSRKZYEM-UVHMKAGCSA-N. The full InChI is InChI=1S/C26H30N6O6/c1-25(2,3)32-20(34)16(19(33)28-23(32)37)13-27-15-8-9-17-14(11-15)12-26(18-7-6-10-31(17)18)21(35)29(4)24(38)30(5)22(26)36/h8-9,11,13,18,34H,6-7,10,12H2,1-5H3,(H,28,33,37)/b27-13+.
What are the key properties of 7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione?
7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione has a molecular weight of 522.56 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione is sourced from PubChem (CID 4898823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).