6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline

C16H15BrClN5 — CID 133437012

IUPAC6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
SMILESClc1cc(Br)cc2ccc(N3CCC(n4cncn4)CC3)nc12
InChIInChI=1S/C16H15BrClN5/c17-12-7-11-1-2-15(21-16(11)14(18)8-12)22-5-3-13(4-6-22)23-10-19-9-20-23/h1-2,7-10,13H,3-6H2
InChIKeyDYXORTNHSQYVOP-UHFFFAOYSA-N
MW392.69 g/mol
LogP4.08
Rot. Bonds2

About 6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline

6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline (PubChem CID 133437012) has the molecular formula C16H15BrClN5 and a molecular weight of 392.69 g/mol. Its IUPAC name is 6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
PubChem CID133437012
Molecular FormulaC16H15BrClN5
Molecular Weight392.69 g/mol
Exact Mass391.02
IUPAC Name6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
SMILESClc1cc(Br)cc2ccc(N3CCC(n4cncn4)CC3)nc12
InChIInChI=1S/C16H15BrClN5/c17-12-7-11-1-2-15(21-16(11)14(18)8-12)22-5-3-13(4-6-22)23-10-19-9-20-23/h1-2,7-10,13H,3-6H2
InChIKeyDYXORTNHSQYVOP-UHFFFAOYSA-N
XLogP4.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.69
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 133436211
1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 133437188
1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide
CID 133436506
6-bromo-8-chloro-2-(4-methylsulfonyl-1,4-diazepan-1-yl)quinoline
CID 133436493
[4-(6-bromo-8-chloroquinolin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499069
6-bromo-8-chloro-2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]quinoline
CID 133437230
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
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
8-bromo-4-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
CID 133306134
4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306124
4-ethyl-2-(4-nitrophenyl)-6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidine
CID 133279796

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline?
The IUPAC name of 6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline (CID 133437012) is 6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline is Clc1cc(Br)cc2ccc(N3CCC(n4cncn4)CC3)nc12.
What is the InChIKey of 6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline?
The InChIKey is DYXORTNHSQYVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN5/c17-12-7-11-1-2-15(21-16(11)14(18)8-12)22-5-3-13(4-6-22)23-10-19-9-20-23/h1-2,7-10,13H,3-6H2.
What are the key properties of 6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline?
6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline has a molecular weight of 392.69 g/mol, XLogP of 4.08, 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-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 133437012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).