2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid

C14H13N3O4 — CID 151739314

IUPAC2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid
SMILESO=C1CN2Cc3cc(CCC(=O)C(=O)O)ccc3N=C2N1
InChIInChI=1S/C14H13N3O4/c18-11(13(20)21)4-2-8-1-3-10-9(5-8)6-17-7-12(19)16-14(17)15-10/h1,3,5H,2,4,6-7H2,(H,20,21)(H,15,16,19)
InChIKeyRMEPRJDSRWAEAY-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.21
Rot. Bonds4

About 2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid

2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid (PubChem CID 151739314) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid.

Molecular Properties

Compound Name2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid
PubChem CID151739314
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid
SMILESO=C1CN2Cc3cc(CCC(=O)C(=O)O)ccc3N=C2N1
InChIInChI=1S/C14H13N3O4/c18-11(13(20)21)4-2-8-1-3-10-9(5-8)6-17-7-12(19)16-14(17)15-10/h1,3,5H,2,4,6-7H2,(H,20,21)(H,15,16,19)
InChIKeyRMEPRJDSRWAEAY-UHFFFAOYSA-N
XLogP0.21
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid?
The IUPAC name of 2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid (CID 151739314) is 2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid.
What is the SMILES notation for 2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid?
The canonical SMILES for 2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid is O=C1CN2Cc3cc(CCC(=O)C(=O)O)ccc3N=C2N1.
What is the InChIKey of 2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid?
The InChIKey is RMEPRJDSRWAEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-11(13(20)21)4-2-8-1-3-10-9(5-8)6-17-7-12(19)16-14(17)15-10/h1,3,5H,2,4,6-7H2,(H,20,21)(H,15,16,19).
What are the key properties of 2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid?
2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid has a molecular weight of 287.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)butanoic acid is sourced from PubChem (CID 151739314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).