[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone

C21H22N4O — CID 125001075

IUPAC[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESCN(C)c1cc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)ccn1
InChIInChI=1S/C21H22N4O/c1-24(2)20-14-16(11-12-22-20)19-8-5-13-25(19)21(26)18-10-9-15-6-3-4-7-17(15)23-18/h3-4,6-7,9-12,14,19H,5,8,13H2,1-2H3/t19-/m1/s1
InChIKeySAGPXGZAKNSZGJ-LJQANCHMSA-N
MW346.43 g/mol
LogP3.67
Rot. Bonds3

About [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone

[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 125001075) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
PubChem CID125001075
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESCN(C)c1cc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)ccn1
InChIInChI=1S/C21H22N4O/c1-24(2)20-14-16(11-12-22-20)19-8-5-13-25(19)21(26)18-10-9-15-6-3-4-7-17(15)23-18/h3-4,6-7,9-12,14,19H,5,8,13H2,1-2H3/t19-/m1/s1
InChIKeySAGPXGZAKNSZGJ-LJQANCHMSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 127246847
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 175652507
6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 125014374
2H-benzotriazol-5-yl-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 124994429
2-(benzotriazol-1-yl)-1-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124975797
1-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 124980402
[2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110253714
N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124968290
3-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 124973567
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 42929431
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone
CID 124999262

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone (CID 125001075) is [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone is CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)ccn1.
What is the InChIKey of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is SAGPXGZAKNSZGJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24(2)20-14-16(11-12-22-20)19-8-5-13-25(19)21(26)18-10-9-15-6-3-4-7-17(15)23-18/h3-4,6-7,9-12,14,19H,5,8,13H2,1-2H3/t19-/m1/s1.
What are the key properties of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone?
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 125001075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).