[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol

C22H33N3O2 — CID 70761506

IUPAC[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol
SMILESCOCCN(C)C[C@@H]1CN(c2cc(C)c3ccc(C)c(C)c3n2)C[C@@H]1CO
InChIInChI=1S/C22H33N3O2/c1-15-6-7-20-16(2)10-21(23-22(20)17(15)3)25-12-18(19(13-25)14-26)11-24(4)8-9-27-5/h6-7,10,18-19,26H,8-9,11-14H2,1-5H3/t18-,19-/m1/s1
InChIKeyURUFUHSLDWTEFU-RTBURBONSA-N
MW371.53 g/mol
LogP2.78
Rot. Bonds7

About [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol

[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 70761506) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol
PubChem CID70761506
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol
SMILESCOCCN(C)C[C@@H]1CN(c2cc(C)c3ccc(C)c(C)c3n2)C[C@@H]1CO
InChIInChI=1S/C22H33N3O2/c1-15-6-7-20-16(2)10-21(23-22(20)17(15)3)25-12-18(19(13-25)14-26)11-24(4)8-9-27-5/h6-7,10,18-19,26H,8-9,11-14H2,1-5H3/t18-,19-/m1/s1
InChIKeyURUFUHSLDWTEFU-RTBURBONSA-N
XLogP2.78
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol
CID 70777752
2-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-5,6-dimethylpyridine-3-carbonitrile
CID 70765774
[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 70730327
(5-chloro-2-methylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 70750611
[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 70749653
[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 70714550
[(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 70768224
2-[[(3R,4R)-4-(hydroxymethyl)-1-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol
CID 70784017
[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 70774697
[(3R,4R)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 70750447
[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 70745693
[(3R,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 70748852

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol (CID 70761506) is [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol is COCCN(C)C[C@@H]1CN(c2cc(C)c3ccc(C)c(C)c3n2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is URUFUHSLDWTEFU-RTBURBONSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-15-6-7-20-16(2)10-21(23-22(20)17(15)3)25-12-18(19(13-25)14-26)11-24(4)8-9-27-5/h6-7,10,18-19,26H,8-9,11-14H2,1-5H3/t18-,19-/m1/s1.
What are the key properties of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 371.53 g/mol, XLogP of 2.78, 7 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-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70761506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).