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

C26H32N4O6 — CID 50793236

IUPAC4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCC(C)C)c2=O)cc1
InChIInChI=1S/C26H32N4O6/c1-16(2)10-11-28-23(31)15-29-20-13-22(36-5)21(35-4)12-19(20)25(33)30(26(29)34)14-17-6-8-18(9-7-17)24(32)27-3/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H,27,32)(H,28,31)
InChIKeyMYCXVICOTTXGGC-UHFFFAOYSA-N
MW496.56 g/mol
LogP1.75
Rot. Bonds10

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

4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide (PubChem CID 50793236) has the molecular formula C26H32N4O6 and a molecular weight of 496.56 g/mol. Its IUPAC name is 4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
PubChem CID50793236
Molecular FormulaC26H32N4O6
Molecular Weight496.56 g/mol
Exact Mass496.23
IUPAC Name4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCC(C)C)c2=O)cc1
InChIInChI=1S/C26H32N4O6/c1-16(2)10-11-28-23(31)15-29-20-13-22(36-5)21(35-4)12-19(20)25(33)30(26(29)34)14-17-6-8-18(9-7-17)24(32)27-3/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H,27,32)(H,28,31)
InChIKeyMYCXVICOTTXGGC-UHFFFAOYSA-N
XLogP1.75
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide with MolForge

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Related Compounds

4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793227
N-butyl-4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propylamino)ethyl]quinazolin-3-yl]methyl]benzamide
CID 50793511
4-[[1-[2-(2,5-dimethylanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793423
4-[[1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methylbutyl)benzamide
CID 50793241
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-[[6,7-dimethoxy-1-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 50793413
4-[(1-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 50793484
N-[(2S)-butan-2-yl]-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazolin-1-yl]acetamide
CID 95050240
N-[(2R)-butan-2-yl]-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazolin-1-yl]acetamide
CID 95050239
4-[[1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 50793489

Frequently Asked Questions

What is the IUPAC name of 4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide (CID 50793236) is 4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide is CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCC(C)C)c2=O)cc1.
What is the InChIKey of 4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The InChIKey is MYCXVICOTTXGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O6/c1-16(2)10-11-28-23(31)15-29-20-13-22(36-5)21(35-4)12-19(20)25(33)30(26(29)34)14-17-6-8-18(9-7-17)24(32)27-3/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H,27,32)(H,28,31).
What are the key properties of 4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide has a molecular weight of 496.56 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6,7-dimethoxy-1-[2-(3-methylbutylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 50793236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).