2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one

C20H26Cl2N4O2 — CID 42715229

IUPAC2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
SMILESCCCn1c(C(CC)N2CCN(C(=O)C(Cl)Cl)CC2)nc2ccccc2c1=O
InChIInChI=1S/C20H26Cl2N4O2/c1-3-9-26-18(23-15-8-6-5-7-14(15)19(26)27)16(4-2)24-10-12-25(13-11-24)20(28)17(21)22/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeySWBFMFBEUSJJJO-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.21
Rot. Bonds6

About 2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one

2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one (PubChem CID 42715229) has the molecular formula C20H26Cl2N4O2 and a molecular weight of 425.36 g/mol. Its IUPAC name is 2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
PubChem CID42715229
Molecular FormulaC20H26Cl2N4O2
Molecular Weight425.36 g/mol
Exact Mass424.14
IUPAC Name2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
SMILESCCCn1c(C(CC)N2CCN(C(=O)C(Cl)Cl)CC2)nc2ccccc2c1=O
InChIInChI=1S/C20H26Cl2N4O2/c1-3-9-26-18(23-15-8-6-5-7-14(15)19(26)27)16(4-2)24-10-12-25(13-11-24)20(28)17(21)22/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeySWBFMFBEUSJJJO-UHFFFAOYSA-N
XLogP3.21
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
CID 42714988
3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714780
3-benzyl-2-[1-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714912
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
3-(2-methoxyethyl)-2-[1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 42715002
2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714771
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42657432
4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide
CID 42714842
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
2-[1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714784

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one?
The IUPAC name of 2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one (CID 42715229) is 2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one?
The canonical SMILES for 2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one is CCCn1c(C(CC)N2CCN(C(=O)C(Cl)Cl)CC2)nc2ccccc2c1=O.
What is the InChIKey of 2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one?
The InChIKey is SWBFMFBEUSJJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N4O2/c1-3-9-26-18(23-15-8-6-5-7-14(15)19(26)27)16(4-2)24-10-12-25(13-11-24)20(28)17(21)22/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of 2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one?
2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one has a molecular weight of 425.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one is sourced from PubChem (CID 42715229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).