6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline

C18H16BrClN4 — CID 177172662

IUPAC6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline
SMILESClc1cc(-c2ccc(N3CCNCC3)nc2)nc2ccc(Br)cc12
InChIInChI=1S/C18H16BrClN4/c19-13-2-3-16-14(9-13)15(20)10-17(23-16)12-1-4-18(22-11-12)24-7-5-21-6-8-24/h1-4,9-11,21H,5-8H2
InChIKeyWEGZVITUVKQTJF-UHFFFAOYSA-N
MW403.71 g/mol
LogP4.12
Rot. Bonds2

About 6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline

6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline (PubChem CID 177172662) has the molecular formula C18H16BrClN4 and a molecular weight of 403.71 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline
PubChem CID177172662
Molecular FormulaC18H16BrClN4
Molecular Weight403.71 g/mol
Exact Mass402.02
IUPAC Name6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline
SMILESClc1cc(-c2ccc(N3CCNCC3)nc2)nc2ccc(Br)cc12
InChIInChI=1S/C18H16BrClN4/c19-13-2-3-16-14(9-13)15(20)10-17(23-16)12-1-4-18(22-11-12)24-7-5-21-6-8-24/h1-4,9-11,21H,5-8H2
InChIKeyWEGZVITUVKQTJF-UHFFFAOYSA-N
XLogP4.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.71
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
CID 177172690
1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine
CID 86694860
2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline
CID 177172502
4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline
CID 177174040
4-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-(6-piperazin-1-yl-3-pyridinyl)quinoline
CID 177173294
7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride
CID 121237126
[6-bromo-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-3-yl]-cyclopropylmethanone
CID 66715701
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 141215033
4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine
CID 141335696
N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 18545620
5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one
CID 159120939

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline?
The IUPAC name of 6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline (CID 177172662) is 6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline.
What is the SMILES notation for 6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline?
The canonical SMILES for 6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline is Clc1cc(-c2ccc(N3CCNCC3)nc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline?
The InChIKey is WEGZVITUVKQTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN4/c19-13-2-3-16-14(9-13)15(20)10-17(23-16)12-1-4-18(22-11-12)24-7-5-21-6-8-24/h1-4,9-11,21H,5-8H2.
What are the key properties of 6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline?
6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline has a molecular weight of 403.71 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline is sourced from PubChem (CID 177172662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).