8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile

C15H13BrClN3 — CID 175992745

IUPAC8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCCCC2)nc2c(Br)cc(Cl)cc12
InChIInChI=1S/C15H13BrClN3/c16-13-8-11(17)7-12-10(9-18)6-14(19-15(12)13)20-4-2-1-3-5-20/h6-8H,1-5H2
InChIKeyHQTMLRYLUALVKR-UHFFFAOYSA-N
MW350.65 g/mol
LogP4.51
Rot. Bonds1

About 8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile

8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile (PubChem CID 175992745) has the molecular formula C15H13BrClN3 and a molecular weight of 350.65 g/mol. Its IUPAC name is 8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile.

Molecular Properties

Compound Name8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile
PubChem CID175992745
Molecular FormulaC15H13BrClN3
Molecular Weight350.65 g/mol
Exact Mass349.00
IUPAC Name8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCCCC2)nc2c(Br)cc(Cl)cc12
InChIInChI=1S/C15H13BrClN3/c16-13-8-11(17)7-12-10(9-18)6-14(19-15(12)13)20-4-2-1-3-5-20/h6-8H,1-5H2
InChIKeyHQTMLRYLUALVKR-UHFFFAOYSA-N
XLogP4.51
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile
CID 75455040
4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile
CID 175640213
3-bromo-4-piperidin-1-ylnaphthalene-1-carbonitrile
CID 23079959
6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
CID 133455579
2-[[(1R)-1-(6-chloro-4-cyano-2-morpholin-4-ylquinolin-8-yl)ethyl]amino]benzoic acid
CID 175992727
6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile
CID 133410643
2-[[(1R)-1-(4-cyano-6-methyl-2-piperidin-1-ylquinolin-8-yl)ethyl]amino]benzoic acid
CID 175992682
2-[1-(4-cyano-6-methyl-2-piperidin-1-ylquinolin-8-yl)ethylamino]benzoic acid
CID 175992760
4-[2-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 58504496
3-[1-(6-chloro-4-cyano-2-morpholin-4-ylquinolin-8-yl)ethylamino]pyridine-4-carboxylic acid
CID 175992718
6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 133453291
8-bromo-6-chloro-2,4-dimethylquinoline
CID 82580896

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile?
The IUPAC name of 8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile (CID 175992745) is 8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile.
What is the SMILES notation for 8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile?
The canonical SMILES for 8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile is N#Cc1cc(N2CCCCC2)nc2c(Br)cc(Cl)cc12.
What is the InChIKey of 8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile?
The InChIKey is HQTMLRYLUALVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3/c16-13-8-11(17)7-12-10(9-18)6-14(19-15(12)13)20-4-2-1-3-5-20/h6-8H,1-5H2.
What are the key properties of 8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile?
8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile has a molecular weight of 350.65 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile is sourced from PubChem (CID 175992745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).