[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol

C15H18N2O — CID 78995603

IUPAC[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1ccc2ccccc2n1
InChIInChI=1S/C15H18N2O/c18-11-14-5-3-9-17(14)10-13-8-7-12-4-1-2-6-15(12)16-13/h1-2,4,6-8,14,18H,3,5,9-11H2/t14-/m0/s1
InChIKeyLGVNFRVOJJQBGK-AWEZNQCLSA-N
MW242.32 g/mol
LogP2.19
Rot. Bonds3

About [(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol

[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 78995603) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID78995603
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1ccc2ccccc2n1
InChIInChI=1S/C15H18N2O/c18-11-14-5-3-9-17(14)10-13-8-7-12-4-1-2-6-15(12)16-13/h1-2,4,6-8,14,18H,3,5,9-11H2/t14-/m0/s1
InChIKeyLGVNFRVOJJQBGK-AWEZNQCLSA-N
XLogP2.19
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline
CID 80675692
2-[[2-(2-bromoethyl)pyrrolidin-1-yl]methyl]quinoline
CID 112747828
1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538611
[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62207536
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79037926
[1-[(2-hydrazinylquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62246844
[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62015900
[1-[(6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79243297
[(2R)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62736748
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol (CID 78995603) is [(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1Cc1ccc2ccccc2n1.
What is the InChIKey of [(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is LGVNFRVOJJQBGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O/c18-11-14-5-3-9-17(14)10-13-8-7-12-4-1-2-6-15(12)16-13/h1-2,4,6-8,14,18H,3,5,9-11H2/t14-/m0/s1.
What are the key properties of [(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 242.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 78995603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).