5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid

C23H24N4O3 — CID 1145408

IUPAC5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C23H24N4O3/c28-20(11-6-12-21(29)30)26-13-15-27(16-14-26)23-24-19-10-5-4-9-18(19)22(25-23)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,29,30)
InChIKeyPMHKLKSBKHHXCZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.20
Rot. Bonds6

About 5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid

5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid (PubChem CID 1145408) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid
PubChem CID1145408
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C23H24N4O3/c28-20(11-6-12-21(29)30)26-13-15-27(16-14-26)23-24-19-10-5-4-9-18(19)22(25-23)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,29,30)
InChIKeyPMHKLKSBKHHXCZ-UHFFFAOYSA-N
XLogP3.20
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid?
The IUPAC name of 5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid (CID 1145408) is 5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid?
The canonical SMILES for 5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid is O=C(O)CCCC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of 5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid?
The InChIKey is PMHKLKSBKHHXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-20(11-6-12-21(29)30)26-13-15-27(16-14-26)23-24-19-10-5-4-9-18(19)22(25-23)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,29,30).
What are the key properties of 5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid?
5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid has a molecular weight of 404.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]pentanoic acid is sourced from PubChem (CID 1145408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).