2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one

C18H26N4O — CID 769728

IUPAC2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
SMILESCCCn1c([C@@H](CC)N2CCNCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H26N4O/c1-3-11-22-17(16(4-2)21-12-9-19-10-13-21)20-15-8-6-5-7-14(15)18(22)23/h5-8,16,19H,3-4,9-13H2,1-2H3/t16-/m1/s1
InChIKeyKNJGZAAVXRTGMM-MRXNPFEDSA-N
MW314.43 g/mol
LogP2.16
Rot. Bonds5

About 2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one

2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one (PubChem CID 769728) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
PubChem CID769728
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
SMILESCCCn1c([C@@H](CC)N2CCNCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H26N4O/c1-3-11-22-17(16(4-2)21-12-9-19-10-13-21)20-15-8-6-5-7-14(15)18(22)23/h5-8,16,19H,3-4,9-13H2,1-2H3/t16-/m1/s1
InChIKeyKNJGZAAVXRTGMM-MRXNPFEDSA-N
XLogP2.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715229
2-[1-[4-(4-nitrobenzoyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715232
2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine
CID 82310698
3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
CID 42714988
methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
CID 6941068
3-(2-methoxyethyl)-2-[1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 42715002
3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714780
3-benzyl-2-[1-(1,4-diazepan-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10172468
2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
CID 769666
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
2-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one?
The IUPAC name of 2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one (CID 769728) is 2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one is CCCn1c([C@@H](CC)N2CCNCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one?
The InChIKey is KNJGZAAVXRTGMM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-11-22-17(16(4-2)21-12-9-19-10-13-21)20-15-8-6-5-7-14(15)18(22)23/h5-8,16,19H,3-4,9-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one?
2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one has a molecular weight of 314.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one is sourced from PubChem (CID 769728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).