6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one

C14H15BrN4O2 — CID 62050317

IUPAC6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCNCC1
InChIInChI=1S/C14H15BrN4O2/c15-10-1-2-12-11(7-10)14(21)19(9-17-12)8-13(20)18-5-3-16-4-6-18/h1-2,7,9,16H,3-6,8H2
InChIKeyLTGSJQKGFJMZSA-UHFFFAOYSA-N
MW351.20 g/mol
LogP0.59
Rot. Bonds2

About 6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one

6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one (PubChem CID 62050317) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one
PubChem CID62050317
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCNCC1
InChIInChI=1S/C14H15BrN4O2/c15-10-1-2-12-11(7-10)14(21)19(9-17-12)8-13(20)18-5-3-16-4-6-18/h1-2,7,9,16H,3-6,8H2
InChIKeyLTGSJQKGFJMZSA-UHFFFAOYSA-N
XLogP0.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-[2-[(3R)-3-methylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 124620535
6-bromo-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]quinazolin-4-one
CID 56519020
6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119561032
methyl 1-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 7886638
6-bromo-3-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124620440
6-bromo-3-[3-[(3S)-3-methylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124697383
4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55718407
6-bromo-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 51196186
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one
CID 119378564
6-bromo-3-[2-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 124612752
6-bromo-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinazolin-4-one
CID 46460291
(2S)-1-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119365735

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one?
The IUPAC name of 6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one (CID 62050317) is 6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one?
The canonical SMILES for 6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one is O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCNCC1.
What is the InChIKey of 6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one?
The InChIKey is LTGSJQKGFJMZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c15-10-1-2-12-11(7-10)14(21)19(9-17-12)8-13(20)18-5-3-16-4-6-18/h1-2,7,9,16H,3-6,8H2.
What are the key properties of 6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one?
6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one has a molecular weight of 351.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 62050317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).