[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone

C21H21N3O — CID 124962989

IUPAC[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C21H21N3O/c25-21(18-6-8-20-17(15-18)3-1-11-23-20)24-14-2-4-19(24)7-5-16-9-12-22-13-10-16/h1,3,6,8-13,15,19H,2,4-5,7,14H2/t19-/m0/s1
InChIKeyHMXKUKJTAQYAPH-IBGZPJMESA-N
MW331.42 g/mol
LogP3.87
Rot. Bonds4

About [(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone

[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 124962989) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is [(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
PubChem CID124962989
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C21H21N3O/c25-21(18-6-8-20-17(15-18)3-1-11-23-20)24-14-2-4-19(24)7-5-16-9-12-22-13-10-16/h1,3,6,8-13,15,19H,2,4-5,7,14H2/t19-/m0/s1
InChIKeyHMXKUKJTAQYAPH-IBGZPJMESA-N
XLogP3.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 110103587
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 55923674
2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923129
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 47066259
(6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124994294
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110103609
(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125014760
[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone
CID 167959828
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124994004

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone (CID 124962989) is [(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone is O=C(c1ccc2ncccc2c1)N1CCC[C@H]1CCc1ccncc1.
What is the InChIKey of [(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is HMXKUKJTAQYAPH-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(18-6-8-20-17(15-18)3-1-11-23-20)24-14-2-4-19(24)7-5-16-9-12-22-13-10-16/h1,3,6,8-13,15,19H,2,4-5,7,14H2/t19-/m0/s1.
What are the key properties of [(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 331.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 124962989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).