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

C20H20N4O — CID 110090994

IUPACpyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnn1)N1CCCC(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C20H20N4O/c25-20(19-8-3-9-22-23-19)24-10-4-5-15(14-24)11-16-12-17-6-1-2-7-18(17)21-13-16/h1-3,6-9,12-13,15H,4-5,10-11,14H2
InChIKeyZXNXVDNORYJEHJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.12
Rot. Bonds3

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

pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110090994) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID110090994
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Namepyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnn1)N1CCCC(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C20H20N4O/c25-20(19-8-3-9-22-23-19)24-10-4-5-15(14-24)11-16-12-17-6-1-2-7-18(17)21-13-16/h1-3,6-9,12-13,15H,4-5,10-11,14H2
InChIKeyZXNXVDNORYJEHJ-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

Analyze pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124989323
(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124970815
(1-methylimidazol-4-yl)-[4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 110098870
pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652168
pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 125015441
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124967795

Frequently Asked Questions

What is the IUPAC name of pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (CID 110090994) is pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is O=C(c1cccnn1)N1CCCC(Cc2cnc3ccccc3c2)C1.
What is the InChIKey of pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ZXNXVDNORYJEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(19-8-3-9-22-23-19)24-10-4-5-15(14-24)11-16-12-17-6-1-2-7-18(17)21-13-16/h1-3,6-9,12-13,15H,4-5,10-11,14H2.
What are the key properties of pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
pyridazin-3-yl-[3-(quinolin-3-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-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110090994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).