N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide

C21H21N3O4 — CID 4904308

IUPACN-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
SMILESCC(=O)c1cccc(NC(=O)C(C(C)C)n2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C21H21N3O4/c1-12(2)18(19(26)22-15-8-6-7-14(11-15)13(3)25)24-20(27)16-9-4-5-10-17(16)23-21(24)28/h4-12,18H,1-3H3,(H,22,26)(H,23,28)
InChIKeyYVLYGMFTTPCDHM-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.73
Rot. Bonds5

About N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide

N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide (PubChem CID 4904308) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
PubChem CID4904308
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
SMILESCC(=O)c1cccc(NC(=O)C(C(C)C)n2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C21H21N3O4/c1-12(2)18(19(26)22-15-8-6-7-14(11-15)13(3)25)24-20(27)16-9-4-5-10-17(16)23-21(24)28/h4-12,18H,1-3H3,(H,22,26)(H,23,28)
InChIKeyYVLYGMFTTPCDHM-UHFFFAOYSA-N
XLogP2.73
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4911728
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 4902210
2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]propanoic acid
CID 4836848
2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoic acid
CID 15860182
N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 2787122
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4910445
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4909904
3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione
CID 4899772
N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 110861099
(2R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 51427958
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24687824

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide (CID 4904308) is N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide is CC(=O)c1cccc(NC(=O)C(C(C)C)n2c(=O)[nH]c3ccccc3c2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide?
The InChIKey is YVLYGMFTTPCDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-12(2)18(19(26)22-15-8-6-7-14(11-15)13(3)25)24-20(27)16-9-4-5-10-17(16)23-21(24)28/h4-12,18H,1-3H3,(H,22,26)(H,23,28).
What are the key properties of N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide?
N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide has a molecular weight of 379.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 4904308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).