(3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride

C14H18Cl2N2O — CID 154919479

IUPAC(3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.O[C@@H]1CNC[C@H]1Cc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O.2ClH/c17-14-9-15-8-11(14)7-12-6-5-10-3-1-2-4-13(10)16-12;;/h1-6,11,14-15,17H,7-9H2;2*1H/t11-,14-;;/m1../s1
InChIKeyZRZCFPSCKVWCBB-WGSPLUPMSA-N
MW301.22 g/mol
LogP2.20
Rot. Bonds2

About (3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride

(3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride (PubChem CID 154919479) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride
PubChem CID154919479
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.O[C@@H]1CNC[C@H]1Cc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O.2ClH/c17-14-9-15-8-11(14)7-12-6-5-10-3-1-2-4-13(10)16-12;;/h1-6,11,14-15,17H,7-9H2;2*1H/t11-,14-;;/m1../s1
InChIKeyZRZCFPSCKVWCBB-WGSPLUPMSA-N
XLogP2.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of (3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride (CID 154919479) is (3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for (3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for (3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride is Cl.Cl.O[C@@H]1CNC[C@H]1Cc1ccc2ccccc2n1.
What is the InChIKey of (3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride?
The InChIKey is ZRZCFPSCKVWCBB-WGSPLUPMSA-N. The full InChI is InChI=1S/C14H16N2O.2ClH/c17-14-9-15-8-11(14)7-12-6-5-10-3-1-2-4-13(10)16-12;;/h1-6,11,14-15,17H,7-9H2;2*1H/t11-,14-;;/m1../s1.
What are the key properties of (3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride?
(3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride has a molecular weight of 301.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 154919479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).