6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline

C19H19BrClN5 — CID 133437278

IUPAC6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline
SMILESClc1cc(Br)cc2ccc(N3CCCC(c4nnc5n4CCC5)C3)nc12
InChIInChI=1S/C19H19BrClN5/c20-14-9-12-5-6-16(22-18(12)15(21)10-14)25-7-1-3-13(11-25)19-24-23-17-4-2-8-26(17)19/h5-6,9-10,13H,1-4,7-8,11H2
InChIKeyCLQBVGHOTGCDJZ-UHFFFAOYSA-N
MW432.75 g/mol
LogP4.57
Rot. Bonds2

About 6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline

6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline (PubChem CID 133437278) has the molecular formula C19H19BrClN5 and a molecular weight of 432.75 g/mol. Its IUPAC name is 6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline
PubChem CID133437278
Molecular FormulaC19H19BrClN5
Molecular Weight432.75 g/mol
Exact Mass431.05
IUPAC Name6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline
SMILESClc1cc(Br)cc2ccc(N3CCCC(c4nnc5n4CCC5)C3)nc12
InChIInChI=1S/C19H19BrClN5/c20-14-9-12-5-6-16(22-18(12)15(21)10-14)25-7-1-3-13(11-25)19-24-23-17-4-2-8-26(17)19/h5-6,9-10,13H,1-4,7-8,11H2
InChIKeyCLQBVGHOTGCDJZ-UHFFFAOYSA-N
XLogP4.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.75
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline with MolForge

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Related Compounds

1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 133437188
3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 133290557
3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 133292022
3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 133292080
5-[2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133320315
[4-(6-bromo-8-chloroquinolin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499069
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile
CID 133280853
3-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 119033024
methyl 2-methoxy-6-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 133489015
6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 133436211
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3,5-difluorobenzonitrile
CID 133292115
6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
CID 133437012

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline?
The IUPAC name of 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) is 6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline is Clc1cc(Br)cc2ccc(N3CCCC(c4nnc5n4CCC5)C3)nc12.
What is the InChIKey of 6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline?
The InChIKey is CLQBVGHOTGCDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN5/c20-14-9-12-5-6-16(22-18(12)15(21)10-14)25-7-1-3-13(11-25)19-24-23-17-4-2-8-26(17)19/h5-6,9-10,13H,1-4,7-8,11H2.
What are the key properties of 6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline?
6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline has a molecular weight of 432.75 g/mol, XLogP of 4.57, 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-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 133437278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).