3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one

C26H32N4O2 — CID 42714780

IUPAC3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H32N4O2/c1-3-23(25-27-22-13-9-8-12-21(22)26(32)30(25)4-2)28-16-18-29(19-17-28)24(31)15-14-20-10-6-5-7-11-20/h5-13,23H,3-4,14-19H2,1-2H3
InChIKeySLALHCSNMJTUGC-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.64
Rot. Bonds7

About 3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one

3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one (PubChem CID 42714780) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
PubChem CID42714780
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H32N4O2/c1-3-23(25-27-22-13-9-8-12-21(22)26(32)30(25)4-2)28-16-18-29(19-17-28)24(31)15-14-20-10-6-5-7-11-20/h5-13,23H,3-4,14-19H2,1-2H3
InChIKeySLALHCSNMJTUGC-UHFFFAOYSA-N
XLogP3.64
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-2-[1-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714912
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
CID 42714988
2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714771
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
2-[1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714784
2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715229
3-ethyl-2-[1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]quinazolin-4-one
CID 42717162
3-(2-methoxyethyl)-2-[1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 42715002
2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
CID 769728
2-[1-[4-(4-nitrobenzoyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715232
N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714703

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one (CID 42714780) is 3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one is CCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one?
The InChIKey is SLALHCSNMJTUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-3-23(25-27-22-13-9-8-12-21(22)26(32)30(25)4-2)28-16-18-29(19-17-28)24(31)15-14-20-10-6-5-7-11-20/h5-13,23H,3-4,14-19H2,1-2H3.
What are the key properties of 3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one?
3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one has a molecular weight of 432.57 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 42714780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).