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

C21H24N4O — CID 135108369

IUPAC(3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2nccn2C2CC2)C[C@H]1Cc1ccc2ccccc2n1
InChIInChI=1S/C21H24N4O/c26-20-13-24(14-21-22-9-10-25(21)18-7-8-18)12-16(20)11-17-6-5-15-3-1-2-4-19(15)23-17/h1-6,9-10,16,18,20,26H,7-8,11-14H2/t16-,20-/m1/s1
InChIKeyGKSRASJHKARBID-OXQOHEQNSA-N
MW348.45 g/mol
LogP2.80
Rot. Bonds5

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

(3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 135108369) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID135108369
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2nccn2C2CC2)C[C@H]1Cc1ccc2ccccc2n1
InChIInChI=1S/C21H24N4O/c26-20-13-24(14-21-22-9-10-25(21)18-7-8-18)12-16(20)11-17-6-5-15-3-1-2-4-19(15)23-17/h1-6,9-10,16,18,20,26H,7-8,11-14H2/t16-,20-/m1/s1
InChIKeyGKSRASJHKARBID-OXQOHEQNSA-N
XLogP2.80
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-(quinolin-2-ylmethyl)-1-[(1,4,5-trimethylimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 134696121
(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-[(2-phenyl-1,3-thiazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 134708559
(3S,4R)-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 134707057
(3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 134696666
(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134699950
N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide
CID 135094368
2-(cyclopropylamino)-1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 135110284
(3S,4R)-1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 155503187
(3S,4R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 155502099
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 155505876

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol (CID 135108369) is (3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol is O[C@@H]1CN(Cc2nccn2C2CC2)C[C@H]1Cc1ccc2ccccc2n1.
What is the InChIKey of (3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is GKSRASJHKARBID-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H24N4O/c26-20-13-24(14-21-22-9-10-25(21)18-7-8-18)12-16(20)11-17-6-5-15-3-1-2-4-19(15)23-17/h1-6,9-10,16,18,20,26H,7-8,11-14H2/t16-,20-/m1/s1.
What are the key properties of (3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 348.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 135108369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).