4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid

C22H22N4O3 — CID 1145406

IUPAC4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C22H22N4O3/c27-19(10-11-20(28)29)25-12-14-26(15-13-25)22-23-18-9-5-4-8-17(18)21(24-22)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,28,29)
InChIKeyPUWMTGSPFLYYJB-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.81
Rot. Bonds5

About 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid

4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid (PubChem CID 1145406) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid
PubChem CID1145406
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C22H22N4O3/c27-19(10-11-20(28)29)25-12-14-26(15-13-25)22-23-18-9-5-4-8-17(18)21(24-22)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,28,29)
InChIKeyPUWMTGSPFLYYJB-UHFFFAOYSA-N
XLogP2.81
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid?
The IUPAC name of 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid (CID 1145406) is 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid is O=C(O)CCC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid?
The InChIKey is PUWMTGSPFLYYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-19(10-11-20(28)29)25-12-14-26(15-13-25)22-23-18-9-5-4-8-17(18)21(24-22)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,28,29).
What are the key properties of 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid?
4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid has a molecular weight of 390.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 1145406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).