(3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

C19H18ClN3O — CID 155909727

IUPAC(3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(c2ccnc3ccc(Cl)cc23)C[C@H]1Cc1ccncc1
InChIInChI=1S/C19H18ClN3O/c20-15-1-2-17-16(10-15)18(5-8-22-17)23-11-14(19(24)12-23)9-13-3-6-21-7-4-13/h1-8,10,14,19,24H,9,11-12H2/t14-,19-/m1/s1
InChIKeyJMIIOQFCMCYQIM-AUUYWEPGSA-N
MW339.83 g/mol
LogP3.32
Rot. Bonds3

About (3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 155909727) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is (3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID155909727
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name(3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(c2ccnc3ccc(Cl)cc23)C[C@H]1Cc1ccncc1
InChIInChI=1S/C19H18ClN3O/c20-15-1-2-17-16(10-15)18(5-8-22-17)23-11-14(19(24)12-23)9-13-3-6-21-7-4-13/h1-8,10,14,19,24H,9,11-12H2/t14-,19-/m1/s1
InChIKeyJMIIOQFCMCYQIM-AUUYWEPGSA-N
XLogP3.32
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 155502098
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
(3R,4R)-4-(pyridin-4-ylmethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrrolidin-3-ol
CID 155918716
(3S,4S)-1-(6-chloroquinolin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064023
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708
4-(azepan-1-yl)-6-chloroquinoline
CID 110434360
(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 56904897
(3aR,5R,6R,7aS)-2-(6-chloroquinolin-4-yl)-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172665115
5-[[(3R,4R)-1-(6-chloroquinolin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole;formic acid
CID 154916429
3-[(3S,4R)-1-(6-chloroquinolin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol
CID 133110734
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
(3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135099500

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 155909727) is (3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is O[C@@H]1CN(c2ccnc3ccc(Cl)cc23)C[C@H]1Cc1ccncc1.
What is the InChIKey of (3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is JMIIOQFCMCYQIM-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-15-1-2-17-16(10-15)18(5-8-22-17)23-11-14(19(24)12-23)9-13-3-6-21-7-4-13/h1-8,10,14,19,24H,9,11-12H2/t14-,19-/m1/s1.
What are the key properties of (3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 339.83 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 155909727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).