(3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

C19H18FN3O — CID 155506342

IUPAC(3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(c2ccncc2F)C[C@H]1Cc1ccc2ccccc2n1
InChIInChI=1S/C19H18FN3O/c20-16-10-21-8-7-18(16)23-11-14(19(24)12-23)9-15-6-5-13-3-1-2-4-17(13)22-15/h1-8,10,14,19,24H,9,11-12H2/t14-,19-/m1/s1
InChIKeySNMZRVGLNPYVOU-AUUYWEPGSA-N
MW323.37 g/mol
LogP2.81
Rot. Bonds3

About (3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 155506342) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is (3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID155506342
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name(3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(c2ccncc2F)C[C@H]1Cc1ccc2ccccc2n1
InChIInChI=1S/C19H18FN3O/c20-16-10-21-8-7-18(16)23-11-14(19(24)12-23)9-15-6-5-13-3-1-2-4-17(13)22-15/h1-8,10,14,19,24H,9,11-12H2/t14-,19-/m1/s1
InChIKeySNMZRVGLNPYVOU-AUUYWEPGSA-N
XLogP2.81
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2r,3r,4s)-2-(Hydroxymethyl)-1-(Quinolin-8-Ylmethyl)pyrrolidine-3,4-Diol
CID 24894045
2-[1-Isobutyl-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16189802
alpha-2-Pyridinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
CID 129617
1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-octan-2-ol
CID 44404364
(2R,3R,4S)-1-[(4-aminoquinolin-8-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 52948494
2-[4-[[(6-Fluoroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
CID 56779973
(4S,5R)-1,1-dioxo-2-phenyl-7-(quinolin-3-ylmethyl)-1lambda6-thia-2,7-diazaspiro[4.4]nonan-4-ol
CID 139577598
2-[1-(3-Methylbutyl)-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16188517
[1-[(1-ethyl-1H-indol-3-yl)methyl]-3-(4-fluorobenzyl)-3-piperidinyl]methanol
CID 23723306
(2Z)-2-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 52948998
1-[4-[[(6-Fluoroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53619024
Quinoline, 2-(3-pyridinyl)-4-(1-pyrrolidinyl)-
CID 453064

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol (CID 155506342) is (3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol is O[C@@H]1CN(c2ccncc2F)C[C@H]1Cc1ccc2ccccc2n1.
What is the InChIKey of (3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is SNMZRVGLNPYVOU-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-10-21-8-7-18(16)23-11-14(19(24)12-23)9-15-6-5-13-3-1-2-4-17(13)22-15/h1-8,10,14,19,24H,9,11-12H2/t14-,19-/m1/s1.
What are the key properties of (3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 323.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(3-fluoro-4-pyridinyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 155506342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).