3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine

C21H22ClN3 — CID 76529530

IUPAC3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine
SMILESCC1CCCN1CCc1ccc2cc(-c3ccc(Cl)nn3)ccc2c1
InChIInChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-5-18-14-19(7-6-17(18)13-16)20-8-9-21(22)24-23-20/h4-9,13-15H,2-3,10-12H2,1H3
InChIKeyDEQYLUXIRDJIHU-UHFFFAOYSA-N
MW351.88 g/mol
LogP4.98
Rot. Bonds4

About 3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine

3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine (PubChem CID 76529530) has the molecular formula C21H22ClN3 and a molecular weight of 351.88 g/mol. Its IUPAC name is 3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine
PubChem CID76529530
Molecular FormulaC21H22ClN3
Molecular Weight351.88 g/mol
Exact Mass351.15
IUPAC Name3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine
SMILESCC1CCCN1CCc1ccc2cc(-c3ccc(Cl)nn3)ccc2c1
InChIInChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-5-18-14-19(7-6-17(18)13-16)20-8-9-21(22)24-23-20/h4-9,13-15H,2-3,10-12H2,1H3
InChIKeyDEQYLUXIRDJIHU-UHFFFAOYSA-N
XLogP4.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine?
The IUPAC name of 3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine (CID 76529530) is 3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine is CC1CCCN1CCc1ccc2cc(-c3ccc(Cl)nn3)ccc2c1.
What is the InChIKey of 3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine?
The InChIKey is DEQYLUXIRDJIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-5-18-14-19(7-6-17(18)13-16)20-8-9-21(22)24-23-20/h4-9,13-15H,2-3,10-12H2,1H3.
What are the key properties of 3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine?
3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine has a molecular weight of 351.88 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine is sourced from PubChem (CID 76529530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).