(3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol

C19H24N2O2 — CID 129482891

IUPAC(3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol
SMILESC[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccc2ccccc2n1
InChIInChI=1S/C19H24N2O2/c1-19(22)10-12-23-13-15(19)17-7-4-11-21(17)18-9-8-14-5-2-3-6-16(14)20-18/h2-3,5-6,8-9,15,17,22H,4,7,10-13H2,1H3/t15-,17+,19-/m0/s1
InChIKeyLFMMFKBUCLSWAF-WDYCEAGBSA-N
MW312.41 g/mol
LogP2.99
Rot. Bonds2

About (3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol

(3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol (PubChem CID 129482891) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol
PubChem CID129482891
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol
SMILESC[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccc2ccccc2n1
InChIInChI=1S/C19H24N2O2/c1-19(22)10-12-23-13-15(19)17-7-4-11-21(17)18-9-8-14-5-2-3-6-16(14)20-18/h2-3,5-6,8-9,15,17,22H,4,7,10-13H2,1H3/t15-,17+,19-/m0/s1
InChIKeyLFMMFKBUCLSWAF-WDYCEAGBSA-N
XLogP2.99
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3-[(2S)-1-(2-benzylpyrimidin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129482911
(3R,4R)-4-methyl-3-[(2R)-1-(1-methylbenzimidazol-2-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129482531
(3R,4S)-3-[(2R)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129483548
(3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129482303
(3R,4R)-3-[(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129482675
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 128975592
(3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129482350
6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile
CID 129491578
2-[2-[[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]methyl]phenyl]-2-methylpropanenitrile
CID 129484122
(3S,4S)-3-[(2R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129491662
2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline
CID 112748091
(3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 129346036

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol (CID 129482891) is (3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol is C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccc2ccccc2n1.
What is the InChIKey of (3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol?
The InChIKey is LFMMFKBUCLSWAF-WDYCEAGBSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(22)10-12-23-13-15(19)17-7-4-11-21(17)18-9-8-14-5-2-3-6-16(14)20-18/h2-3,5-6,8-9,15,17,22H,4,7,10-13H2,1H3/t15-,17+,19-/m0/s1.
What are the key properties of (3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol?
(3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol has a molecular weight of 312.41 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129482891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).