[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol

C20H29N3O2 — CID 72939379

IUPAC[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCOCCN(C)C[C@@H]1CN(Cc2ccnc3ccccc23)C[C@@H]1CO
InChIInChI=1S/C20H29N3O2/c1-22(9-10-25-2)11-17-13-23(14-18(17)15-24)12-16-7-8-21-20-6-4-3-5-19(16)20/h3-8,17-18,24H,9-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyWCHARPSKZJMILM-QZTJIDSGSA-N
MW343.47 g/mol
LogP1.85
Rot. Bonds8

About [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 72939379) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID72939379
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCOCCN(C)C[C@@H]1CN(Cc2ccnc3ccccc23)C[C@@H]1CO
InChIInChI=1S/C20H29N3O2/c1-22(9-10-25-2)11-17-13-23(14-18(17)15-24)12-16-7-8-21-20-6-4-3-5-19(16)20/h3-8,17-18,24H,9-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyWCHARPSKZJMILM-QZTJIDSGSA-N
XLogP1.85
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol (CID 72939379) is [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol is COCCN(C)C[C@@H]1CN(Cc2ccnc3ccccc23)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is WCHARPSKZJMILM-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22(9-10-25-2)11-17-13-23(14-18(17)15-24)12-16-7-8-21-20-6-4-3-5-19(16)20/h3-8,17-18,24H,9-15H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 343.47 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72939379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).