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

C19H18N4O — CID 110111706

IUPACpyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccnnc1)N1CCC(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C19H18N4O/c24-19(17-5-7-21-22-12-17)23-8-6-14(13-23)9-15-10-16-3-1-2-4-18(16)20-11-15/h1-5,7,10-12,14H,6,8-9,13H2
InChIKeyXLFVUSMVKCFZQI-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.73
Rot. Bonds3

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

pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 110111706) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID110111706
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Namepyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccnnc1)N1CCC(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C19H18N4O/c24-19(17-5-7-21-22-12-17)23-8-6-14(13-23)9-15-10-16-3-1-2-4-18(16)20-11-15/h1-5,7,10-12,14H,6,8-9,13H2
InChIKeyXLFVUSMVKCFZQI-UHFFFAOYSA-N
XLogP2.73
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090994
pyridazin-4-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124963997
(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828739
1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 118739871
(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124970815
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124989323
(3-pyrimidin-2-yloxyphenyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125026126

Frequently Asked Questions

What is the IUPAC name of pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone (CID 110111706) is pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccnnc1)N1CCC(Cc2cnc3ccccc3c2)C1.
What is the InChIKey of pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XLFVUSMVKCFZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(17-5-7-21-22-12-17)23-8-6-14(13-23)9-15-10-16-3-1-2-4-18(16)20-11-15/h1-5,7,10-12,14H,6,8-9,13H2.
What are the key properties of pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone?
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 318.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110111706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).