[(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol

C17H22N2O2 — CID 128979762

IUPAC[(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2ccc3nc(C)ccc3c2)C1
InChIInChI=1S/C17H22N2O2/c1-12-3-5-14-7-13(4-6-17(14)18-12)9-19-10-16(21-2)8-15(19)11-20/h3-7,15-16,20H,8-11H2,1-2H3/t15-,16+/m0/s1
InChIKeyWWQDGGDNQHDBJT-JKSUJKDBSA-N
MW286.38 g/mol
LogP2.12
Rot. Bonds4

About [(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol

[(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 128979762) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID128979762
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2ccc3nc(C)ccc3c2)C1
InChIInChI=1S/C17H22N2O2/c1-12-3-5-14-7-13(4-6-17(14)18-12)9-19-10-16(21-2)8-15(19)11-20/h3-7,15-16,20H,8-11H2,1-2H3/t15-,16+/m0/s1
InChIKeyWWQDGGDNQHDBJT-JKSUJKDBSA-N
XLogP2.12
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol (CID 128979762) is [(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol is CO[C@@H]1C[C@@H](CO)N(Cc2ccc3nc(C)ccc3c2)C1.
What is the InChIKey of [(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is WWQDGGDNQHDBJT-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-3-5-14-7-13(4-6-17(14)18-12)9-19-10-16(21-2)8-15(19)11-20/h3-7,15-16,20H,8-11H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of [(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 286.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).