7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline

C21H14ClN5O — CID 25066993

IUPAC7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
SMILESClc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C21H14ClN5O/c22-15-6-7-16-18(12-15)23-11-10-19(16)28-13-21-25-24-20-9-8-17(26-27(20)21)14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyGAUCGHHYNSSQRD-UHFFFAOYSA-N
MW387.83 g/mol
LogP4.57
Rot. Bonds4

About 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline

7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (PubChem CID 25066993) has the molecular formula C21H14ClN5O and a molecular weight of 387.83 g/mol. Its IUPAC name is 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.

Molecular Properties

Compound Name7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
PubChem CID25066993
Molecular FormulaC21H14ClN5O
Molecular Weight387.83 g/mol
Exact Mass387.09
IUPAC Name7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
SMILESClc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C21H14ClN5O/c22-15-6-7-16-18(12-15)23-11-10-19(16)28-13-21-25-24-20-9-8-17(26-27(20)21)14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyGAUCGHHYNSSQRD-UHFFFAOYSA-N
XLogP4.57
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The IUPAC name of 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (CID 25066993) is 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.
What is the SMILES notation for 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The canonical SMILES for 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is Clc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.
What is the InChIKey of 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The InChIKey is GAUCGHHYNSSQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5O/c22-15-6-7-16-18(12-15)23-11-10-19(16)28-13-21-25-24-20-9-8-17(26-27(20)21)14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline has a molecular weight of 387.83 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is sourced from PubChem (CID 25066993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).