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

C20H20N4O — CID 110090995

IUPACpyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnn1)N1CCC(Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C20H20N4O/c25-20(19-6-3-10-22-23-19)24-12-8-15(9-13-24)14-16-7-11-21-18-5-2-1-4-17(16)18/h1-7,10-11,15H,8-9,12-14H2
InChIKeyBWBTVVIGIASYJV-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.12
Rot. Bonds3

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

pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110090995) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID110090995
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Namepyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnn1)N1CCC(Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C20H20N4O/c25-20(19-6-3-10-22-23-19)24-12-8-15(9-13-24)14-16-7-11-21-18-5-2-1-4-17(16)18/h1-7,10-11,15H,8-9,12-14H2
InChIKeyBWBTVVIGIASYJV-UHFFFAOYSA-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

(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110111683
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461
(5-methylpyrazin-2-yl)-[(3R)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124956263
(2-methylpyrimidin-5-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124966364
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124950383
[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 110149354
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239
(2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 125009206
1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone
CID 92534411
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 124961035

Frequently Asked Questions

What is the IUPAC name of pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone (CID 110090995) is pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone is O=C(c1cccnn1)N1CCC(Cc2ccnc3ccccc23)CC1.
What is the InChIKey of pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BWBTVVIGIASYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(19-6-3-10-22-23-19)24-12-8-15(9-13-24)14-16-7-11-21-18-5-2-1-4-17(16)18/h1-7,10-11,15H,8-9,12-14H2.
What are the key properties of pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
pyridazin-3-yl-[4-(quinolin-4-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-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110090995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).