(3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol

C21H26N4O — CID 134696121

IUPAC(3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1nc(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)n(C)c1C
InChIInChI=1S/C21H26N4O/c1-14-15(2)24(3)21(22-14)13-25-11-17(20(26)12-25)10-18-9-8-16-6-4-5-7-19(16)23-18/h4-9,17,20,26H,10-13H2,1-3H3/t17-,20-/m1/s1
InChIKeyFTIIBICTVACLFJ-YLJYHZDGSA-N
MW350.47 g/mol
LogP2.62
Rot. Bonds4

About (3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol

(3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 134696121) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol
PubChem CID134696121
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1nc(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)n(C)c1C
InChIInChI=1S/C21H26N4O/c1-14-15(2)24(3)21(22-14)13-25-11-17(20(26)12-25)10-18-9-8-16-6-4-5-7-19(16)23-18/h4-9,17,20,26H,10-13H2,1-3H3/t17-,20-/m1/s1
InChIKeyFTIIBICTVACLFJ-YLJYHZDGSA-N
XLogP2.62
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3S,4R)-1-[(4-propan-2-ylphenyl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 134706305
(3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 135109096
(3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 135108369
(3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 134696666
(3S,4R)-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 134707057
N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide
CID 135094368
(3S,4R)-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 134708559
formic acid;(3S,4R)-1-pentan-3-yl-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 154918863
(3S,4R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 155502099
(2,3-dimethylquinoxalin-6-yl)-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 155505920
(3S,4R)-4-benzyl-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-ol
CID 138026490
3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
CID 114511029

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol (CID 134696121) is (3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol is Cc1nc(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)n(C)c1C.
What is the InChIKey of (3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is FTIIBICTVACLFJ-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-15(2)24(3)21(22-14)13-25-11-17(20(26)12-25)10-18-9-8-16-6-4-5-7-19(16)23-18/h4-9,17,20,26H,10-13H2,1-3H3/t17-,20-/m1/s1.
What are the key properties of (3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol?
(3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 350.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 134696121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).