6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one

C18H25BrN4O — CID 147757093

IUPAC6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one
SMILESCCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1CCNCC1
InChIInChI=1S/C18H25BrN4O/c1-3-5-16(22-10-8-20-9-11-22)17-21-15-7-6-13(19)12-14(15)18(24)23(17)4-2/h6-7,12,16,20H,3-5,8-11H2,1-2H3
InChIKeyHDIJFXKORLPSOQ-UHFFFAOYSA-N
MW393.33 g/mol
LogP2.93
Rot. Bonds5

About 6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one

6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one (PubChem CID 147757093) has the molecular formula C18H25BrN4O and a molecular weight of 393.33 g/mol. Its IUPAC name is 6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one
PubChem CID147757093
Molecular FormulaC18H25BrN4O
Molecular Weight393.33 g/mol
Exact Mass392.12
IUPAC Name6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one
SMILESCCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1CCNCC1
InChIInChI=1S/C18H25BrN4O/c1-3-5-16(22-10-8-20-9-11-22)17-21-15-7-6-13(19)12-14(15)18(24)23(17)4-2/h6-7,12,16,20H,3-5,8-11H2,1-2H3
InChIKeyHDIJFXKORLPSOQ-UHFFFAOYSA-N
XLogP2.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one?
The IUPAC name of 6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one (CID 147757093) is 6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one?
The canonical SMILES for 6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one is CCCC(c1nc2ccc(Br)cc2c(=O)n1CC)N1CCNCC1.
What is the InChIKey of 6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one?
The InChIKey is HDIJFXKORLPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN4O/c1-3-5-16(22-10-8-20-9-11-22)17-21-15-7-6-13(19)12-14(15)18(24)23(17)4-2/h6-7,12,16,20H,3-5,8-11H2,1-2H3.
What are the key properties of 6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one?
6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one has a molecular weight of 393.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-2-(1-piperazin-1-ylbutyl)quinazolin-4-one is sourced from PubChem (CID 147757093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).