2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

C20H20N4O5 — CID 46550854

IUPAC2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C20H20N4O5/c1-12-7-8-16(29-2)14(9-12)22-17(25)10-21-18(26)11-24-15-6-4-3-5-13(15)19(27)23-20(24)28/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,25)(H,23,27,28)
InChIKeyRPLZFYBXCOMAAI-UHFFFAOYSA-N
MW396.40 g/mol
LogP0.76
Rot. Bonds6

About 2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 46550854) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID46550854
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C20H20N4O5/c1-12-7-8-16(29-2)14(9-12)22-17(25)10-21-18(26)11-24-15-6-4-3-5-13(15)19(27)23-20(24)28/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,25)(H,23,27,28)
InChIKeyRPLZFYBXCOMAAI-UHFFFAOYSA-N
XLogP0.76
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide with MolForge

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Related Compounds

2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 976850
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 56685527
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 22330285
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
N-(2-methoxy-5-methylphenyl)-2-(4-oxo-5H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395627
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 15993533
2-[[2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55838143
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 43045688
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide
CID 1153614
2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 46550854) is 2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is RPLZFYBXCOMAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-12-7-8-16(29-2)14(9-12)22-17(25)10-21-18(26)11-24-15-6-4-3-5-13(15)19(27)23-20(24)28/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,25)(H,23,27,28).
What are the key properties of 2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 396.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 46550854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).