pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

C20H20N4O — CID 124963944

IUPACpyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccnnc1)N1CCC[C@H](Cc2cccc3cccnc23)C1
InChIInChI=1S/C20H20N4O/c25-20(18-8-10-22-23-13-18)24-11-3-4-15(14-24)12-17-6-1-5-16-7-2-9-21-19(16)17/h1-2,5-10,13,15H,3-4,11-12,14H2/t15-/m1/s1
InChIKeyHTXPDCMDSXJKBQ-OAHLLOKOSA-N
MW332.41 g/mol
LogP3.12
Rot. Bonds3

About pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124963944) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
PubChem CID124963944
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Namepyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccnnc1)N1CCC[C@H](Cc2cccc3cccnc23)C1
InChIInChI=1S/C20H20N4O/c25-20(18-8-10-22-23-13-18)24-11-3-4-15(14-24)12-17-6-1-5-16-7-2-9-21-19(16)17/h1-2,5-10,13,15H,3-4,11-12,14H2/t15-/m1/s1
InChIKeyHTXPDCMDSXJKBQ-OAHLLOKOSA-N
XLogP3.12
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404
(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124972215
(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 125000469
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
[4-methyl-3-(pyridin-2-ylmethylamino)phenyl]-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 129458362
1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132773007
1-methyl-N-[2-[(3S)-3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenyl]pyrazole-3-carboxamide
CID 129460009
[3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672520
(5-methyl-1,3-oxazol-4-yl)-[(4R)-4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 124997008
(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110149381
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239

Frequently Asked Questions

What is the IUPAC name of pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (CID 124963944) is pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccnnc1)N1CCC[C@H](Cc2cccc3cccnc23)C1.
What is the InChIKey of pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is HTXPDCMDSXJKBQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(18-8-10-22-23-13-18)24-11-3-4-15(14-24)12-17-6-1-5-16-7-2-9-21-19(16)17/h1-2,5-10,13,15H,3-4,11-12,14H2/t15-/m1/s1.
What are the key properties of pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 332.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124963944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).