[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone

C20H26N2O3 — CID 133125911

IUPAC[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2nc(C)cc(C(=O)N3C[C@@H](O)[C@H](OC(C)C)C3)c2c1
InChIInChI=1S/C20H26N2O3/c1-11(2)25-18-10-22(9-17(18)23)20(24)16-8-14(5)21-19-13(4)6-12(3)7-15(16)19/h6-8,11,17-18,23H,9-10H2,1-5H3/t17-,18-/m1/s1
InChIKeyPCHXXCBQWKTJLJ-QZTJIDSGSA-N
MW342.44 g/mol
LogP2.77
Rot. Bonds3

About [(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone

[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone (PubChem CID 133125911) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
PubChem CID133125911
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2nc(C)cc(C(=O)N3C[C@@H](O)[C@H](OC(C)C)C3)c2c1
InChIInChI=1S/C20H26N2O3/c1-11(2)25-18-10-22(9-17(18)23)20(24)16-8-14(5)21-19-13(4)6-12(3)7-15(16)19/h6-8,11,17-18,23H,9-10H2,1-5H3/t17-,18-/m1/s1
InChIKeyPCHXXCBQWKTJLJ-QZTJIDSGSA-N
XLogP2.77
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone with MolForge

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Related Compounds

piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 70782397
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 70726410
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 120656910
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 133120312
1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one
CID 119061996
N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 70713626
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone
CID 119380047
[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 50963617
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 133124655
N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 133135233
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 119152117

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone (CID 133125911) is [(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone is Cc1cc(C)c2nc(C)cc(C(=O)N3C[C@@H](O)[C@H](OC(C)C)C3)c2c1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone?
The InChIKey is PCHXXCBQWKTJLJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-11(2)25-18-10-22(9-17(18)23)20(24)16-8-14(5)21-19-13(4)6-12(3)7-15(16)19/h6-8,11,17-18,23H,9-10H2,1-5H3/t17-,18-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone?
[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone is sourced from PubChem (CID 133125911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).