[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

C23H20N4O2 — CID 97190537

IUPAC[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccncc3)nc3ccccc23)on1
InChIInChI=1S/C23H20N4O2/c1-15-13-22(29-26-15)21-7-4-12-27(21)23(28)18-14-20(16-8-10-24-11-9-16)25-19-6-3-2-5-17(18)19/h2-3,5-6,8-11,13-14,21H,4,7,12H2,1H3/t21-/m1/s1
InChIKeyZYWLQFGVMCNLAB-OAQYLSRUSA-N
MW384.44 g/mol
LogP4.57
Rot. Bonds3

About [(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 97190537) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is [(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID97190537
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccncc3)nc3ccccc23)on1
InChIInChI=1S/C23H20N4O2/c1-15-13-22(29-26-15)21-7-4-12-27(21)23(28)18-14-20(16-8-10-24-11-9-16)25-19-6-3-2-5-17(18)19/h2-3,5-6,8-11,13-14,21H,4,7,12H2,1H3/t21-/m1/s1
InChIKeyZYWLQFGVMCNLAB-OAQYLSRUSA-N
XLogP4.57
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone with MolForge

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Related Compounds

[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97190536
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 91763073
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 92606138
[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 92554001
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020
(2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 126840478
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 51950849
[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 51950850
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731482

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of [(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (CID 97190537) is [(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for [(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccncc3)nc3ccccc23)on1.
What is the InChIKey of [(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is ZYWLQFGVMCNLAB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-13-22(29-26-15)21-7-4-12-27(21)23(28)18-14-20(16-8-10-24-11-9-16)25-19-6-3-2-5-17(18)19/h2-3,5-6,8-11,13-14,21H,4,7,12H2,1H3/t21-/m1/s1.
What are the key properties of [(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 384.44 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 97190537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).