(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate

C18H14N3O5- — CID 7692705

IUPAC(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H](C(=O)[O-])c1ccccc1
InChIInChI=1S/C18H15N3O5/c22-14(20-15(17(24)25)11-6-2-1-3-7-11)10-21-16(23)12-8-4-5-9-13(12)19-18(21)26/h1-9,15H,10H2,(H,19,26)(H,20,22)(H,24,25)/p-1/t15-/m1/s1
InChIKeyMIELMRRMRQVLQY-OAHLLOKOSA-M
MW352.33 g/mol
LogP-0.70
Rot. Bonds5

About (2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate

(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate (PubChem CID 7692705) has the molecular formula C18H14N3O5- and a molecular weight of 352.33 g/mol. Its IUPAC name is (2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate.

Molecular Properties

Compound Name(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
PubChem CID7692705
Molecular FormulaC18H14N3O5-
Molecular Weight352.33 g/mol
Exact Mass352.09
IUPAC Name(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H](C(=O)[O-])c1ccccc1
InChIInChI=1S/C18H15N3O5/c22-14(20-15(17(24)25)11-6-2-1-3-7-11)10-21-16(23)12-8-4-5-9-13(12)19-18(21)26/h1-9,15H,10H2,(H,19,26)(H,20,22)(H,24,25)/p-1/t15-/m1/s1
InChIKeyMIELMRRMRQVLQY-OAHLLOKOSA-M
XLogP-0.70
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate 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

3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 91636848
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42955940
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119587739
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 162909342
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119447887
2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid
CID 119192243
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate?
The IUPAC name of (2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate (CID 7692705) is (2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate.
What is the SMILES notation for (2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate?
The canonical SMILES for (2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate is O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H](C(=O)[O-])c1ccccc1.
What is the InChIKey of (2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate?
The InChIKey is MIELMRRMRQVLQY-OAHLLOKOSA-M. The full InChI is InChI=1S/C18H15N3O5/c22-14(20-15(17(24)25)11-6-2-1-3-7-11)10-21-16(23)12-8-4-5-9-13(12)19-18(21)26/h1-9,15H,10H2,(H,19,26)(H,20,22)(H,24,25)/p-1/t15-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate?
(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate has a molecular weight of 352.33 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate is sourced from PubChem (CID 7692705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).