5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline

C19H20N4 — CID 46226147

IUPAC5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline
SMILESC[C@@H]1CC[C@H](C)N1c1ccc(-c2cccc3ncccc23)nn1
InChIInChI=1S/C19H20N4/c1-13-8-9-14(2)23(13)19-11-10-18(21-22-19)16-5-3-7-17-15(16)6-4-12-20-17/h3-7,10-14H,8-9H2,1-2H3/t13-,14+
InChIKeyXCIYWIWWNJEYHZ-OKILXGFUSA-N
MW304.40 g/mol
LogP4.07
Rot. Bonds2

About 5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline

5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline (PubChem CID 46226147) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline.

Molecular Properties

Compound Name5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline
PubChem CID46226147
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline
SMILESC[C@@H]1CC[C@H](C)N1c1ccc(-c2cccc3ncccc23)nn1
InChIInChI=1S/C19H20N4/c1-13-8-9-14(2)23(13)19-11-10-18(21-22-19)16-5-3-7-17-15(16)6-4-12-20-17/h3-7,10-14H,8-9H2,1-2H3/t13-,14+
InChIKeyXCIYWIWWNJEYHZ-OKILXGFUSA-N
XLogP4.07
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline?
The IUPAC name of 5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline (CID 46226147) is 5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline.
What is the SMILES notation for 5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline?
The canonical SMILES for 5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline is C[C@@H]1CC[C@H](C)N1c1ccc(-c2cccc3ncccc23)nn1.
What is the InChIKey of 5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline?
The InChIKey is XCIYWIWWNJEYHZ-OKILXGFUSA-N. The full InChI is InChI=1S/C19H20N4/c1-13-8-9-14(2)23(13)19-11-10-18(21-22-19)16-5-3-7-17-15(16)6-4-12-20-17/h3-7,10-14H,8-9H2,1-2H3/t13-,14+.
What are the key properties of 5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline?
5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline has a molecular weight of 304.40 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazin-3-yl]quinoline is sourced from PubChem (CID 46226147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).