2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide

C19H19N3O3 — CID 4075223

IUPAC2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-12(2)20-17(23)11-13-7-9-14(10-8-13)22-18(24)15-5-3-4-6-16(15)21-19(22)25/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyZBEVETBPKDMMRT-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.75
Rot. Bonds4

About 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide

2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide (PubChem CID 4075223) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide
PubChem CID4075223
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-12(2)20-17(23)11-13-7-9-14(10-8-13)22-18(24)15-5-3-4-6-16(15)21-19(22)25/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyZBEVETBPKDMMRT-UHFFFAOYSA-N
XLogP1.75
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide 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-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide
CID 3600020
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
CID 50763110
ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate
CID 3238846
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 91492397
3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane
CID 91428000
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763230
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 42810869
N-butan-2-yl-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
CID 4098321
3-(4-ethylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 53334943
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide
CID 50762715
(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 125430947

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide (CID 4075223) is 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide?
The InChIKey is ZBEVETBPKDMMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(2)20-17(23)11-13-7-9-14(10-8-13)22-18(24)15-5-3-4-6-16(15)21-19(22)25/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide?
2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide has a molecular weight of 337.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 4075223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).