(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

C23H22N2O2 — CID 134708250

IUPAC(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2cc3ccccc3o2)C[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C23H22N2O2/c26-22-15-25(14-19-12-17-5-1-4-8-23(17)27-19)13-18(22)11-16-9-10-24-21-7-3-2-6-20(16)21/h1-10,12,18,22,26H,11,13-15H2/t18-,22+/m1/s1
InChIKeyYBMVXSICGNBGAG-GCJKJVERSA-N
MW358.44 g/mol
LogP4.02
Rot. Bonds4

About (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 134708250) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID134708250
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2cc3ccccc3o2)C[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C23H22N2O2/c26-22-15-25(14-19-12-17-5-1-4-8-23(17)27-19)13-18(22)11-16-9-10-24-21-7-3-2-6-20(16)21/h1-10,12,18,22,26H,11,13-15H2/t18-,22+/m1/s1
InChIKeyYBMVXSICGNBGAG-GCJKJVERSA-N
XLogP4.02
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135098380
(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135116928
(3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135090563
(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134712765
(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134697914
(3S,4R)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711803
(3R,4R)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711039
(3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135109527
(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711012
(3R,4R)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134699713
methyl 6-[[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 155498400
(3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134704446

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (CID 134708250) is (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is O[C@H]1CN(Cc2cc3ccccc3o2)C[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is YBMVXSICGNBGAG-GCJKJVERSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22-15-25(14-19-12-17-5-1-4-8-23(17)27-19)13-18(22)11-16-9-10-24-21-7-3-2-6-20(16)21/h1-10,12,18,22,26H,11,13-15H2/t18-,22+/m1/s1.
What are the key properties of (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 358.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134708250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).