3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one

C17H24N4O — CID 3400950

IUPAC3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCNCC1
InChIInChI=1S/C17H24N4O/c1-3-15(20-11-9-18-10-12-20)16-19-14-8-6-5-7-13(14)17(22)21(16)4-2/h5-8,15,18H,3-4,9-12H2,1-2H3
InChIKeyPNTLVKNXOXVHHQ-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.77
Rot. Bonds4

About 3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one

3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one (PubChem CID 3400950) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
PubChem CID3400950
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCNCC1
InChIInChI=1S/C17H24N4O/c1-3-15(20-11-9-18-10-12-20)16-19-14-8-6-5-7-13(14)17(22)21(16)4-2/h5-8,15,18H,3-4,9-12H2,1-2H3
InChIKeyPNTLVKNXOXVHHQ-UHFFFAOYSA-N
XLogP1.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
CID 769728
3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714780
2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714771
2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine
CID 82310698
2-[1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714784
4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42714702
N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714703
3-benzyl-2-[1-(1,4-diazepan-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10172468
2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715229
3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
CID 42714988
[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009
[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
CID 6941034

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one?
The IUPAC name of 3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one (CID 3400950) is 3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one is CCC(c1nc2ccccc2c(=O)n1CC)N1CCNCC1.
What is the InChIKey of 3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one?
The InChIKey is PNTLVKNXOXVHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-15(20-11-9-18-10-12-20)16-19-14-8-6-5-7-13(14)17(22)21(16)4-2/h5-8,15,18H,3-4,9-12H2,1-2H3.
What are the key properties of 3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one?
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one has a molecular weight of 300.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one is sourced from PubChem (CID 3400950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).