2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide

C19H19N3O4 — CID 91636848

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C19H19N3O4/c23-12-14(10-13-6-2-1-3-7-13)20-17(24)11-22-18(25)15-8-4-5-9-16(15)21-19(22)26/h1-9,14,23H,10-12H2,(H,20,24)(H,21,26)
InChIKeyGQROPMBHZJMSDY-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.41
Rot. Bonds6

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide (PubChem CID 91636848) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
PubChem CID91636848
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C19H19N3O4/c23-12-14(10-13-6-2-1-3-7-13)20-17(24)11-22-18(25)15-8-4-5-9-16(15)21-19(22)26/h1-9,14,23H,10-12H2,(H,20,24)(H,21,26)
InChIKeyGQROPMBHZJMSDY-UHFFFAOYSA-N
XLogP0.41
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
CID 7692705
2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 162909342
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119587739
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 110206981
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42955940
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51393472

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide (CID 91636848) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide is O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC(CO)Cc1ccccc1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide?
The InChIKey is GQROPMBHZJMSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-12-14(10-13-6-2-1-3-7-13)20-17(24)11-22-18(25)15-8-4-5-9-16(15)21-19(22)26/h1-9,14,23H,10-12H2,(H,20,24)(H,21,26).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 91636848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).