(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol

C14H16N2O — CID 79031483

IUPAC(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C14H16N2O/c17-13-5-7-16(10-13)9-11-3-4-14-12(8-11)2-1-6-15-14/h1-4,6,8,13,17H,5,7,9-10H2/t13-/m0/s1
InChIKeyAJMWFTMDLZYKIU-ZDUSSCGKSA-N
MW228.30 g/mol
LogP1.80
Rot. Bonds2

About (3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol

(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol (PubChem CID 79031483) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
PubChem CID79031483
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C14H16N2O/c17-13-5-7-16(10-13)9-11-3-4-14-12(8-11)2-1-6-15-14/h1-4,6,8,13,17H,5,7,9-10H2/t13-/m0/s1
InChIKeyAJMWFTMDLZYKIU-ZDUSSCGKSA-N
XLogP1.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol (CID 79031483) is (3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol is O[C@H]1CCN(Cc2ccc3ncccc3c2)C1.
What is the InChIKey of (3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol?
The InChIKey is AJMWFTMDLZYKIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2O/c17-13-5-7-16(10-13)9-11-3-4-14-12(8-11)2-1-6-15-14/h1-4,6,8,13,17H,5,7,9-10H2/t13-/m0/s1.
What are the key properties of (3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol?
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol has a molecular weight of 228.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 79031483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).