2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one

C21H22N4O3 — CID 136513777

IUPAC2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESO=C(c1ccc(O)cc1)N1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C21H22N4O3/c26-16-7-5-15(6-8-16)21(28)25-13-11-24(12-14-25)10-9-19-22-18-4-2-1-3-17(18)20(27)23-19/h1-8,26H,9-14H2,(H,22,23,27)
InChIKeyWJUFGRZAWIFDGJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.63
Rot. Bonds4

About 2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one

2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one (PubChem CID 136513777) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
PubChem CID136513777
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESO=C(c1ccc(O)cc1)N1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C21H22N4O3/c26-16-7-5-15(6-8-16)21(28)25-13-11-24(12-14-25)10-9-19-22-18-4-2-1-3-17(18)20(27)23-19/h1-8,26H,9-14H2,(H,22,23,27)
InChIKeyWJUFGRZAWIFDGJ-UHFFFAOYSA-N
XLogP1.63
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429215
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136733737
2-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135899756
2-[[4-(3,5-ditert-butyl-4-hydroxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135892404
4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135767696
2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135949295
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830
2-[[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135891492
2-[4-[4-(1H-indazol-3-yl)piperazin-1-yl]butyl]-3H-quinazolin-4-one
CID 160748550
2-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 136868764
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-[[4-[4-(dimethylamino)-3-nitrobenzoyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135891490

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one (CID 136513777) is 2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one is O=C(c1ccc(O)cc1)N1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one?
The InChIKey is WJUFGRZAWIFDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-16-7-5-15(6-8-16)21(28)25-13-11-24(12-14-25)10-9-19-22-18-4-2-1-3-17(18)20(27)23-19/h1-8,26H,9-14H2,(H,22,23,27).
What are the key properties of 2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one?
2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one has a molecular weight of 378.43 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136513777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).