(3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

C20H20ClN3O — CID 155502098

IUPAC(3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESCc1cc(N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H20ClN3O/c1-13-8-20(23-18-3-2-16(21)10-17(13)18)24-11-15(19(25)12-24)9-14-4-6-22-7-5-14/h2-8,10,15,19,25H,9,11-12H2,1H3/t15-,19+/m1/s1
InChIKeyWGIVUOQKJCWVQU-BEFAXECRSA-N
MW353.85 g/mol
LogP3.63
Rot. Bonds3

About (3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 155502098) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is (3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID155502098
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name(3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESCc1cc(N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H20ClN3O/c1-13-8-20(23-18-3-2-16(21)10-17(13)18)24-11-15(19(25)12-24)9-14-4-6-22-7-5-14/h2-8,10,15,19,25H,9,11-12H2,1H3/t15-,19+/m1/s1
InChIKeyWGIVUOQKJCWVQU-BEFAXECRSA-N
XLogP3.63
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 155909727
(3S,4R)-1-(7-fluoro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol;formic acid
CID 155972381
(3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135099500
4-(6-chloro-4-methylquinolin-2-yl)morpholine
CID 1477208
1-[(3R,4S)-1-(4,6-dimethylquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134705951
2-[(1S,5R)-7-(6-chloro-4-methylquinolin-2-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid
CID 135108849
(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135110326
1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
CID 58547479
6-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile
CID 155502094
(3R,4R)-1-(4-methyl-7-methylsulfanylquinolin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134696317
1-[(3R,4S)-1-(6-chloroquinolin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698620
(3S,4R)-1-(5-chloro-2-pyridinyl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134713756

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 155502098) is (3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is Cc1cc(N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)nc2ccc(Cl)cc12.
What is the InChIKey of (3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is WGIVUOQKJCWVQU-BEFAXECRSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-13-8-20(23-18-3-2-16(21)10-17(13)18)24-11-15(19(25)12-24)9-14-4-6-22-7-5-14/h2-8,10,15,19,25H,9,11-12H2,1H3/t15-,19+/m1/s1.
What are the key properties of (3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 353.85 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 155502098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).