(3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one

C19H24N2O2 — CID 157271194

IUPAC(3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one
SMILESCO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C19H24N2O2/c1-13(19(23-2)17-8-5-11-20-17)18(22)12-15-10-9-14-6-3-4-7-16(14)21-15/h3-4,6-7,9-10,13,17,19-20H,5,8,11-12H2,1-2H3/t13-,17-,19+/m0/s1
InChIKeyAFDQNZIQFHEVTE-SOVGHPHASA-N
MW312.41 g/mol
LogP2.75
Rot. Bonds6

About (3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one

(3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one (PubChem CID 157271194) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one
PubChem CID157271194
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one
SMILESCO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C19H24N2O2/c1-13(19(23-2)17-8-5-11-20-17)18(22)12-15-10-9-14-6-3-4-7-16(14)21-15/h3-4,6-7,9-10,13,17,19-20H,5,8,11-12H2,1-2H3/t13-,17-,19+/m0/s1
InChIKeyAFDQNZIQFHEVTE-SOVGHPHASA-N
XLogP2.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one with MolForge

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Related Compounds

(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide
CID 70810642
2-(2-fluoro-2-pyrrolidin-2-ylethyl)quinoline
CID 106640483
tert-butyl (2R,5R,6R)-2-benzyl-6-methoxy-5-methyl-4-oxo-6-[(2S)-pyrrolidin-2-yl]hexanoate
CID 157260915
(2R,3S)-3-methoxy-2-methyl-3-[(2R)-pyrrolidin-2-yl]propanoic acid;hydrochloride
CID 138958295
methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 118577691
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
(2S,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 169449920
piperidin-2-yl(quinolin-2-yl)methanol;hydrobromide
CID 54609992
2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline
CID 64858401
(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide;2,2,2-trifluoroacetic acid
CID 174987095
1-(1-methoxycyclopentyl)-2-quinolin-2-ylethanone
CID 104610088
4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one
CID 116562408

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one?
The IUPAC name of (3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one (CID 157271194) is (3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one.
What is the SMILES notation for (3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one?
The canonical SMILES for (3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one is CO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of (3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one?
The InChIKey is AFDQNZIQFHEVTE-SOVGHPHASA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(19(23-2)17-8-5-11-20-17)18(22)12-15-10-9-14-6-3-4-7-16(14)21-15/h3-4,6-7,9-10,13,17,19-20H,5,8,11-12H2,1-2H3/t13-,17-,19+/m0/s1.
What are the key properties of (3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one?
(3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one has a molecular weight of 312.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one is sourced from PubChem (CID 157271194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).