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

C19H17N3O4 — CID 4911728

IUPACN-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-11(17(24)20-14-9-7-13(8-10-14)12(2)23)22-18(25)15-5-3-4-6-16(15)21-19(22)26/h3-11H,1-2H3,(H,20,24)(H,21,26)
InChIKeyJRRPLSIVTARCAY-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.09
Rot. Bonds4

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

N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide (PubChem CID 4911728) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
PubChem CID4911728
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-11(17(24)20-14-9-7-13(8-10-14)12(2)23)22-18(25)15-5-3-4-6-16(15)21-19(22)26/h3-11H,1-2H3,(H,20,24)(H,21,26)
InChIKeyJRRPLSIVTARCAY-UHFFFAOYSA-N
XLogP2.09
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4910445
N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4909703
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 4902210
N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4904308
(2R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 51427958
(2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-2-phenylacetic acid
CID 51428003
4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide
CID 125431438
2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-pentylphenyl)propanamide
CID 42939385
4-[1-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]benzoic acid
CID 66893674
(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 721438
N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772
2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoic acid
CID 15860182

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide (CID 4911728) is N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide is CC(=O)c1ccc(NC(=O)C(C)n2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The InChIKey is JRRPLSIVTARCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11(17(24)20-14-9-7-13(8-10-14)12(2)23)22-18(25)15-5-3-4-6-16(15)21-19(22)26/h3-11H,1-2H3,(H,20,24)(H,21,26).
What are the key properties of N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide has a molecular weight of 351.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide is sourced from PubChem (CID 4911728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).