[(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol

C16H21N3O2 — CID 154757023

IUPAC[(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2nc3ccccc3nc2C)C1
InChIInChI=1S/C16H21N3O2/c1-11-16(18-15-6-4-3-5-14(15)17-11)9-19-8-13(21-2)7-12(19)10-20/h3-6,12-13,20H,7-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyPUJLWENBIUTXHD-QWHCGFSZSA-N
MW287.36 g/mol
LogP1.52
Rot. Bonds4

About [(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol

[(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 154757023) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID154757023
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2nc3ccccc3nc2C)C1
InChIInChI=1S/C16H21N3O2/c1-11-16(18-15-6-4-3-5-14(15)17-11)9-19-8-13(21-2)7-12(19)10-20/h3-6,12-13,20H,7-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyPUJLWENBIUTXHD-QWHCGFSZSA-N
XLogP1.52
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 167952495
[(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol
CID 128979762
[(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 128979855
[(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 128970681
[(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
CID 167800041
[(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
CID 128979786
2-[4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]phenyl]benzonitrile
CID 167966270
[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]methanol
CID 128980119
[(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
CID 133120430
3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide
CID 128971410
[(2S,4R)-1-[[1-(4-chlorophenyl)pyrazol-3-yl]methyl]-4-methoxypyrrolidin-2-yl]methanol
CID 128983482
[(2S,4R)-1-[(4-bromo-2-methoxyphenyl)methyl]-4-methoxypyrrolidin-2-yl]methanol
CID 128980030

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 154757023) is [(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol is CO[C@@H]1C[C@@H](CO)N(Cc2nc3ccccc3nc2C)C1.
What is the InChIKey of [(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is PUJLWENBIUTXHD-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-16(18-15-6-4-3-5-14(15)17-11)9-19-8-13(21-2)7-12(19)10-20/h3-6,12-13,20H,7-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of [(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 287.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 154757023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).