6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline

C17H15BrClN5 — CID 133436211

IUPAC6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
SMILESClc1cc(Br)cc2ccc(N3CCN(c4ncccn4)CC3)nc12
InChIInChI=1S/C17H15BrClN5/c18-13-10-12-2-3-15(22-16(12)14(19)11-13)23-6-8-24(9-7-23)17-20-4-1-5-21-17/h1-5,10-11H,6-9H2
InChIKeyDDWHICUJFBGLGG-UHFFFAOYSA-N
MW404.70 g/mol
LogP3.77
Rot. Bonds2

About 6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline

6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline (PubChem CID 133436211) has the molecular formula C17H15BrClN5 and a molecular weight of 404.70 g/mol. Its IUPAC name is 6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
PubChem CID133436211
Molecular FormulaC17H15BrClN5
Molecular Weight404.70 g/mol
Exact Mass403.02
IUPAC Name6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
SMILESClc1cc(Br)cc2ccc(N3CCN(c4ncccn4)CC3)nc12
InChIInChI=1S/C17H15BrClN5/c18-13-10-12-2-3-15(22-16(12)14(19)11-13)23-6-8-24(9-7-23)17-20-4-1-5-21-17/h1-5,10-11H,6-9H2
InChIKeyDDWHICUJFBGLGG-UHFFFAOYSA-N
XLogP3.77
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.70
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-8-chloro-2-(4-methylsulfonyl-1,4-diazepan-1-yl)quinoline
CID 133436493
5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133436401
1-[4-(6-bromo-8-chloroquinolin-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 133436745
[4-(6-bromo-8-chloroquinolin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499069
6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
CID 133437012
6-bromo-8-chloro-2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]quinoline
CID 133437230
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline
CID 133437278
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine
CID 104918719
N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898936

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The IUPAC name of 6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline (CID 133436211) is 6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline is Clc1cc(Br)cc2ccc(N3CCN(c4ncccn4)CC3)nc12.
What is the InChIKey of 6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The InChIKey is DDWHICUJFBGLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN5/c18-13-10-12-2-3-15(22-16(12)14(19)11-13)23-6-8-24(9-7-23)17-20-4-1-5-21-17/h1-5,10-11H,6-9H2.
What are the key properties of 6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline has a molecular weight of 404.70 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 133436211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).