pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone

C20H19N3O — CID 95828404

IUPACpyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CC[C@@H](Cc2cccc3cccnc23)C1
InChIInChI=1S/C20H19N3O/c24-20(18-7-2-9-21-13-18)23-11-8-15(14-23)12-17-5-1-4-16-6-3-10-22-19(16)17/h1-7,9-10,13,15H,8,11-12,14H2/t15-/m0/s1
InChIKeyJUGRKVFEMWUCQH-HNNXBMFYSA-N
MW317.39 g/mol
LogP3.33
Rot. Bonds3

About pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone

pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95828404) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95828404
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Namepyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CC[C@@H](Cc2cccc3cccnc23)C1
InChIInChI=1S/C20H19N3O/c24-20(18-7-2-9-21-13-18)23-11-8-15(14-23)12-17-5-1-4-16-6-3-10-22-19(16)17/h1-7,9-10,13,15H,8,11-12,14H2/t15-/m0/s1
InChIKeyJUGRKVFEMWUCQH-HNNXBMFYSA-N
XLogP3.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124963944
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239
(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124972215
1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 110098814
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132773007
(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 125000469
pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258466
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124950383
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone (CID 95828404) is pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cccnc1)N1CC[C@@H](Cc2cccc3cccnc23)C1.
What is the InChIKey of pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JUGRKVFEMWUCQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(18-7-2-9-21-13-18)23-11-8-15(14-23)12-17-5-1-4-16-6-3-10-22-19(16)17/h1-7,9-10,13,15H,8,11-12,14H2/t15-/m0/s1.
What are the key properties of pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone?
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95828404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).