methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride

C17H19ClN2O3 — CID 66895730

IUPACmethyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride
SMILESC=Cc1cc2ccccc2nc1O[C@H]1CN[C@H](C(=O)OC)C1.Cl
InChIInChI=1S/C17H18N2O3.ClH/c1-3-11-8-12-6-4-5-7-14(12)19-16(11)22-13-9-15(18-10-13)17(20)21-2;/h3-8,13,15,18H,1,9-10H2,2H3;1H/t13-,15+;/m1./s1
InChIKeyIZSBSAKSCVXZGH-PBCQUBLHSA-N
MW334.80 g/mol
LogP2.58
Rot. Bonds4

About methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride

methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride (PubChem CID 66895730) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride
PubChem CID66895730
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Namemethyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride
SMILESC=Cc1cc2ccccc2nc1O[C@H]1CN[C@H](C(=O)OC)C1.Cl
InChIInChI=1S/C17H18N2O3.ClH/c1-3-11-8-12-6-4-5-7-14(12)19-16(11)22-13-9-15(18-10-13)17(20)21-2;/h3-8,13,15,18H,1,9-10H2,2H3;1H/t13-,15+;/m1./s1
InChIKeyIZSBSAKSCVXZGH-PBCQUBLHSA-N
XLogP2.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride (CID 66895730) is methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride is C=Cc1cc2ccccc2nc1O[C@H]1CN[C@H](C(=O)OC)C1.Cl.
What is the InChIKey of methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is IZSBSAKSCVXZGH-PBCQUBLHSA-N. The full InChI is InChI=1S/C17H18N2O3.ClH/c1-3-11-8-12-6-4-5-7-14(12)19-16(11)22-13-9-15(18-10-13)17(20)21-2;/h3-8,13,15,18H,1,9-10H2,2H3;1H/t13-,15+;/m1./s1.
What are the key properties of methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride?
methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 334.80 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-(3-ethenylquinolin-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 66895730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).