3-bromo-8-fluoro-4-piperazin-1-ylquinoline

C13H13BrFN3 — CID 121236387

IUPAC3-bromo-8-fluoro-4-piperazin-1-ylquinoline
SMILESFc1cccc2c(N3CCNCC3)c(Br)cnc12
InChIInChI=1S/C13H13BrFN3/c14-10-8-17-12-9(2-1-3-11(12)15)13(10)18-6-4-16-5-7-18/h1-3,8,16H,4-7H2
InChIKeyLJBPLSVVMOEUFT-UHFFFAOYSA-N
MW310.17 g/mol
LogP2.55
Rot. Bonds1

About 3-bromo-8-fluoro-4-piperazin-1-ylquinoline

3-bromo-8-fluoro-4-piperazin-1-ylquinoline (PubChem CID 121236387) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 3-bromo-8-fluoro-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-bromo-8-fluoro-4-piperazin-1-ylquinoline
PubChem CID121236387
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name3-bromo-8-fluoro-4-piperazin-1-ylquinoline
SMILESFc1cccc2c(N3CCNCC3)c(Br)cnc12
InChIInChI=1S/C13H13BrFN3/c14-10-8-17-12-9(2-1-3-11(12)15)13(10)18-6-4-16-5-7-18/h1-3,8,16H,4-7H2
InChIKeyLJBPLSVVMOEUFT-UHFFFAOYSA-N
XLogP2.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline
CID 121236378
3-bromo-6-methyl-4-piperazin-1-ylquinoline
CID 121236335
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236366
(2,2,2-trifluoroacetyl) 5-fluoro-3-[(8-fluoro-4-piperazin-1-ylquinoline-3-carbonyl)amino]-4-oxopentanoate
CID 87721509
8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
CID 2774821
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
7-fluoro-3-piperazin-1-yl-1,2-benzoxazole
CID 83849661
3-fluoro-2-piperazin-1-ylbenzaldehyde
CID 26188733
4-(1,4-diazepan-1-yl)-8-fluoro-2-(trifluoromethyl)quinoline
CID 2774817
4-bromo-2-fluoro-3-piperazin-1-ylphenol
CID 84810659
2-(1,4-diazepan-1-yl)-4-fluoro-1,3-benzothiazole
CID 82192711

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-fluoro-4-piperazin-1-ylquinoline?
The IUPAC name of 3-bromo-8-fluoro-4-piperazin-1-ylquinoline (CID 121236387) is 3-bromo-8-fluoro-4-piperazin-1-ylquinoline.
What is the SMILES notation for 3-bromo-8-fluoro-4-piperazin-1-ylquinoline?
The canonical SMILES for 3-bromo-8-fluoro-4-piperazin-1-ylquinoline is Fc1cccc2c(N3CCNCC3)c(Br)cnc12.
What is the InChIKey of 3-bromo-8-fluoro-4-piperazin-1-ylquinoline?
The InChIKey is LJBPLSVVMOEUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c14-10-8-17-12-9(2-1-3-11(12)15)13(10)18-6-4-16-5-7-18/h1-3,8,16H,4-7H2.
What are the key properties of 3-bromo-8-fluoro-4-piperazin-1-ylquinoline?
3-bromo-8-fluoro-4-piperazin-1-ylquinoline has a molecular weight of 310.17 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-fluoro-4-piperazin-1-ylquinoline is sourced from PubChem (CID 121236387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).