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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Related Compounds

(2R)-2-methyl-1-[2-[6-(4-methylphenyl)naphthalen-2-yl]ethyl]pyrrolidine
CID 11602364
2-(6-chloro-3-pyridinyl)-6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinoline
CID 87964253
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole
CID 52917809
2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 11618861
4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile
CID 57418062
3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
CID 143841531
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 25156750
2-[6-(6-chloropyridazin-3-yl)naphthalen-2-yl]ethyl methanesulfonate
CID 87270576
7-(3-chloro-4-pyridinyl)-3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]isoquinoline
CID 25196516
7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline
CID 10403546
4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole
CID 11633172
2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine
CID 11574500

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).