6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline

C18H15BrF2N4 — CID 170641448

IUPAC6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline
SMILESFc1ccc(N2CCN(c3ncnc4ccc(Br)cc34)CC2)c(F)c1
InChIInChI=1S/C18H15BrF2N4/c19-12-1-3-16-14(9-12)18(23-11-22-16)25-7-5-24(6-8-25)17-4-2-13(20)10-15(17)21/h1-4,9-11H,5-8H2
InChIKeyXHNUHXKWLMYNNH-UHFFFAOYSA-N
MW405.25 g/mol
LogP4.00
Rot. Bonds2

About 6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline

6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline (PubChem CID 170641448) has the molecular formula C18H15BrF2N4 and a molecular weight of 405.25 g/mol. Its IUPAC name is 6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline
PubChem CID170641448
Molecular FormulaC18H15BrF2N4
Molecular Weight405.25 g/mol
Exact Mass404.04
IUPAC Name6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline
SMILESFc1ccc(N2CCN(c3ncnc4ccc(Br)cc34)CC2)c(F)c1
InChIInChI=1S/C18H15BrF2N4/c19-12-1-3-16-14(9-12)18(23-11-22-16)25-7-5-24(6-8-25)17-4-2-13(20)10-15(17)21/h1-4,9-11H,5-8H2
InChIKeyXHNUHXKWLMYNNH-UHFFFAOYSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]quinazoline
CID 87020699
6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline
CID 87020711
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
6-bromo-4-(4-but-3-ynylpiperazin-1-yl)quinazoline
CID 86946151
2-[4-(6-bromoquinazolin-4-yl)piperazin-1-ium-1-yl]ethanol
CID 4225385
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
4-(4-benzylsulfonylpiperazin-1-yl)-6-bromoquinazoline
CID 87020756
6-bromo-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)quinazoline
CID 175652074
4-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-6-fluoroquinazoline
CID 133309107
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
6-bromo-4-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinazoline
CID 170641386
3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 71995970

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline (CID 170641448) is 6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline is Fc1ccc(N2CCN(c3ncnc4ccc(Br)cc34)CC2)c(F)c1.
What is the InChIKey of 6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline?
The InChIKey is XHNUHXKWLMYNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF2N4/c19-12-1-3-16-14(9-12)18(23-11-22-16)25-7-5-24(6-8-25)17-4-2-13(20)10-15(17)21/h1-4,9-11H,5-8H2.
What are the key properties of 6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline?
6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline has a molecular weight of 405.25 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 170641448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).