4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid

C20H19N3O4 — CID 4836394

IUPAC4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C(c1ccccc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C20H19N3O4/c24-17(25)11-6-12-21-19(26)18(14-7-2-1-3-8-14)23-13-22-16-10-5-4-9-15(16)20(23)27/h1-5,7-10,13,18H,6,11-12H2,(H,21,26)(H,24,25)
InChIKeyRQVFBROCUYLCNM-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.97
Rot. Bonds7

About 4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid

4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid (PubChem CID 4836394) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid
PubChem CID4836394
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C(c1ccccc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C20H19N3O4/c24-17(25)11-6-12-21-19(26)18(14-7-2-1-3-8-14)23-13-22-16-10-5-4-9-15(16)20(23)27/h1-5,7-10,13,18H,6,11-12H2,(H,21,26)(H,24,25)
InChIKeyRQVFBROCUYLCNM-UHFFFAOYSA-N
XLogP1.97
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 167643351
2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]acetic acid
CID 4835959
2-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]acetic acid
CID 4834759
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 46557320
(2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid
CID 6851451
4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoic acid
CID 4970961
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579532
(2R)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579540
3-methyl-2-[[4-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]butanoic acid
CID 4835127
(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 126431279

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid (CID 4836394) is 4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid is O=C(O)CCCNC(=O)C(c1ccccc1)n1cnc2ccccc2c1=O.
What is the InChIKey of 4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid?
The InChIKey is RQVFBROCUYLCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-17(25)11-6-12-21-19(26)18(14-7-2-1-3-8-14)23-13-22-16-10-5-4-9-15(16)20(23)27/h1-5,7-10,13,18H,6,11-12H2,(H,21,26)(H,24,25).
What are the key properties of 4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid?
4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid has a molecular weight of 365.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid is sourced from PubChem (CID 4836394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).