4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide

C24H20N4O4 — CID 125431438

IUPAC4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C24H20N4O4/c25-21(29)16-10-12-17(13-11-16)26-22(30)20(14-15-6-2-1-3-7-15)28-23(31)18-8-4-5-9-19(18)27-24(28)32/h1-13,20H,14H2,(H2,25,29)(H,26,30)(H,27,32)/t20-/m0/s1
InChIKeyRYNQQVCRQMOOBG-FQEVSTJZSA-N
MW428.45 g/mol
LogP2.21
Rot. Bonds6

About 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide

4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide (PubChem CID 125431438) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide
PubChem CID125431438
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C24H20N4O4/c25-21(29)16-10-12-17(13-11-16)26-22(30)20(14-15-6-2-1-3-7-15)28-23(31)18-8-4-5-9-19(18)27-24(28)32/h1-13,20H,14H2,(H2,25,29)(H,26,30)(H,27,32)/t20-/m0/s1
InChIKeyRYNQQVCRQMOOBG-FQEVSTJZSA-N
XLogP2.21
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid
CID 6353140
2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 163039236
(2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylbutanoate
CID 6573216
tert-butyl (2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoate
CID 102000912
5-amino-2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 163086428
(2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide
CID 126418506
N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4911728
5-amino-2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 4964759
2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 4838562
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4910445
(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
CID 126417775
3-(acetamidomethylsulfanyl)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid
CID 4965963

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide (CID 125431438) is 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide is NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide?
The InChIKey is RYNQQVCRQMOOBG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H20N4O4/c25-21(29)16-10-12-17(13-11-16)26-22(30)20(14-15-6-2-1-3-7-15)28-23(31)18-8-4-5-9-19(18)27-24(28)32/h1-13,20H,14H2,(H2,25,29)(H,26,30)(H,27,32)/t20-/m0/s1.
What are the key properties of 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide?
4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide has a molecular weight of 428.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide is sourced from PubChem (CID 125431438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).