4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide

C25H30N4O7 — CID 50793227

IUPAC4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCCOC)c2=O)cc1
InChIInChI=1S/C25H30N4O7/c1-26-23(31)17-8-6-16(7-9-17)14-29-24(32)18-12-20(35-3)21(36-4)13-19(18)28(25(29)33)15-22(30)27-10-5-11-34-2/h6-9,12-13H,5,10-11,14-15H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyGBJQMIMJDJNLFQ-UHFFFAOYSA-N
MW498.54 g/mol
LogP0.74
Rot. Bonds11

About 4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide

4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide (PubChem CID 50793227) has the molecular formula C25H30N4O7 and a molecular weight of 498.54 g/mol. Its IUPAC name is 4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
PubChem CID50793227
Molecular FormulaC25H30N4O7
Molecular Weight498.54 g/mol
Exact Mass498.21
IUPAC Name4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCCOC)c2=O)cc1
InChIInChI=1S/C25H30N4O7/c1-26-23(31)17-8-6-16(7-9-17)14-29-24(32)18-12-20(35-3)21(36-4)13-19(18)28(25(29)33)15-22(30)27-10-5-11-34-2/h6-9,12-13H,5,10-11,14-15H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyGBJQMIMJDJNLFQ-UHFFFAOYSA-N
XLogP0.74
TPSA129.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793236
N-butyl-4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propylamino)ethyl]quinazolin-3-yl]methyl]benzamide
CID 50793511
4-[(1-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 50793484
4-[[1-[2-(2,5-dimethylanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793423
4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793258
4-[[1-[2-(butan-2-ylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 50793306
N-butan-2-yl-4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]methyl]benzamide
CID 50793368
4-[[1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 50793489
N-butyl-4-[[1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793305
4-[[6,7-dimethoxy-1-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 50793413
N-butyl-4-[[1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793544
N-butyl-4-[[1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793341

Frequently Asked Questions

What is the IUPAC name of 4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide (CID 50793227) is 4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide is CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCCOC)c2=O)cc1.
What is the InChIKey of 4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The InChIKey is GBJQMIMJDJNLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O7/c1-26-23(31)17-8-6-16(7-9-17)14-29-24(32)18-12-20(35-3)21(36-4)13-19(18)28(25(29)33)15-22(30)27-10-5-11-34-2/h6-9,12-13H,5,10-11,14-15H2,1-4H3,(H,26,31)(H,27,30).
What are the key properties of 4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide has a molecular weight of 498.54 g/mol, XLogP of 0.74, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 50793227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).