8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione

C22H23N7O6 — CID 4910711

IUPAC8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
SMILESCN1CCN2c3ccc(/N=C/c4c(O)n(C)c(=O)[nH]c4=O)cc3CC3(C(=O)NC(=O)NC3=O)C2C1
InChIInChI=1S/C22H23N7O6/c1-27-5-6-29-14-4-3-12(23-9-13-16(30)24-21(35)28(2)17(13)31)7-11(14)8-22(15(29)10-27)18(32)25-20(34)26-19(22)33/h3-4,7,9,15,31H,5-6,8,10H2,1-2H3,(H,24,30,35)(H2,25,26,32,33,34)/b23-9+
InChIKeyYCUIURKQRGJPBZ-NUGSKGIGSA-N
MW481.47 g/mol
LogP-1.44
Rot. Bonds2

About 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione

8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (PubChem CID 4910711) has the molecular formula C22H23N7O6 and a molecular weight of 481.47 g/mol. Its IUPAC name is 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.

Molecular Properties

Compound Name8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
PubChem CID4910711
Molecular FormulaC22H23N7O6
Molecular Weight481.47 g/mol
Exact Mass481.17
IUPAC Name8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
SMILESCN1CCN2c3ccc(/N=C/c4c(O)n(C)c(=O)[nH]c4=O)cc3CC3(C(=O)NC(=O)NC3=O)C2C1
InChIInChI=1S/C22H23N7O6/c1-27-5-6-29-14-4-3-12(23-9-13-16(30)24-21(35)28(2)17(13)31)7-11(14)8-22(15(29)10-27)18(32)25-20(34)26-19(22)33/h3-4,7,9,15,31H,5-6,8,10H2,1-2H3,(H,24,30,35)(H2,25,26,32,33,34)/b23-9+
InChIKeyYCUIURKQRGJPBZ-NUGSKGIGSA-N
XLogP-1.44
TPSA169.20 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The IUPAC name of 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CID 4910711) is 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
What is the SMILES notation for 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The canonical SMILES for 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is CN1CCN2c3ccc(/N=C/c4c(O)n(C)c(=O)[nH]c4=O)cc3CC3(C(=O)NC(=O)NC3=O)C2C1.
What is the InChIKey of 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The InChIKey is YCUIURKQRGJPBZ-NUGSKGIGSA-N. The full InChI is InChI=1S/C22H23N7O6/c1-27-5-6-29-14-4-3-12(23-9-13-16(30)24-21(35)28(2)17(13)31)7-11(14)8-22(15(29)10-27)18(32)25-20(34)26-19(22)33/h3-4,7,9,15,31H,5-6,8,10H2,1-2H3,(H,24,30,35)(H2,25,26,32,33,34)/b23-9+.
What are the key properties of 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione has a molecular weight of 481.47 g/mol, XLogP of -1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is sourced from PubChem (CID 4910711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).