N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide

C20H20N4O4 — CID 55725404

IUPACN-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C20H20N4O4/c1-3-17(25)21-13-9-8-12(2)16(10-13)22-18(26)11-24-19(27)14-6-4-5-7-15(14)23-20(24)28/h4-10H,3,11H2,1-2H3,(H,21,25)(H,22,26)(H,23,28)
InChIKeyBHYHYROBXPFPMI-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.99
Rot. Bonds5

About N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide

N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide (PubChem CID 55725404) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
PubChem CID55725404
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C20H20N4O4/c1-3-17(25)21-13-9-8-12(2)16(10-13)22-18(26)11-24-19(27)14-6-4-5-7-15(14)23-20(24)28/h4-10H,3,11H2,1-2H3,(H,21,25)(H,22,26)(H,23,28)
InChIKeyBHYHYROBXPFPMI-UHFFFAOYSA-N
XLogP1.99
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide
CID 42506993
N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600769
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 86843479
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021610
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide
CID 125431652
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55600588
N-(5-cyano-2-methoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 49181940
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide (CID 55725404) is N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c1.
What is the InChIKey of N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide?
The InChIKey is BHYHYROBXPFPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-3-17(25)21-13-9-8-12(2)16(10-13)22-18(26)11-24-19(27)14-6-4-5-7-15(14)23-20(24)28/h4-10H,3,11H2,1-2H3,(H,21,25)(H,22,26)(H,23,28).
What are the key properties of N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide?
N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide has a molecular weight of 380.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 55725404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).