[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone

C18H16N4O — CID 124982262

IUPAC[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCC[C@@H]1c1cnccn1
InChIInChI=1S/C18H16N4O/c23-18(14-4-1-6-15-13(14)5-2-8-20-15)22-11-3-7-17(22)16-12-19-9-10-21-16/h1-2,4-6,8-10,12,17H,3,7,11H2/t17-/m1/s1
InChIKeyMVWAGRKBEJRHOJ-QGZVFWFLSA-N
MW304.35 g/mol
LogP3.00
Rot. Bonds2

About [(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone

[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone (PubChem CID 124982262) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is [(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
PubChem CID124982262
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCC[C@@H]1c1cnccn1
InChIInChI=1S/C18H16N4O/c23-18(14-4-1-6-15-13(14)5-2-8-20-15)22-11-3-7-17(22)16-12-19-9-10-21-16/h1-2,4-6,8-10,12,17H,3,7,11H2/t17-/m1/s1
InChIKeyMVWAGRKBEJRHOJ-QGZVFWFLSA-N
XLogP3.00
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 124946102
(2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 125022626
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 42940173
[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95841727
[(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 95832670
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124983474
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
(6-methoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124968333
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
(E)-3-phenyl-1-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]prop-2-en-1-one
CID 125005357

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone?
The IUPAC name of [(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone (CID 124982262) is [(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)N1CCC[C@@H]1c1cnccn1.
What is the InChIKey of [(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone?
The InChIKey is MVWAGRKBEJRHOJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(14-4-1-6-15-13(14)5-2-8-20-15)22-11-3-7-17(22)16-12-19-9-10-21-16/h1-2,4-6,8-10,12,17H,3,7,11H2/t17-/m1/s1.
What are the key properties of [(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone?
[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone has a molecular weight of 304.35 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 124982262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).