methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride

C15H16Cl2N2O3 — CID 126969360

IUPACmethyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)c3cccnc23)CN1.Cl
InChIInChI=1S/C15H15ClN2O3.ClH/c1-20-15(19)12-7-9(8-18-12)21-13-5-4-11(16)10-3-2-6-17-14(10)13;/h2-6,9,12,18H,7-8H2,1H3;1H/t9-,12+;/m1./s1
InChIKeyGVIVTWORAZLVHF-KATIXKQHSA-N
MW343.21 g/mol
LogP2.59
Rot. Bonds3

About methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride

methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride (PubChem CID 126969360) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride
PubChem CID126969360
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Namemethyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)c3cccnc23)CN1.Cl
InChIInChI=1S/C15H15ClN2O3.ClH/c1-20-15(19)12-7-9(8-18-12)21-13-5-4-11(16)10-3-2-6-17-14(10)13;/h2-6,9,12,18H,7-8H2,1H3;1H/t9-,12+;/m1./s1
InChIKeyGVIVTWORAZLVHF-KATIXKQHSA-N
XLogP2.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.59
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-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride (CID 126969360) is methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride is COC(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)c3cccnc23)CN1.Cl.
What is the InChIKey of methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is GVIVTWORAZLVHF-KATIXKQHSA-N. The full InChI is InChI=1S/C15H15ClN2O3.ClH/c1-20-15(19)12-7-9(8-18-12)21-13-5-4-11(16)10-3-2-6-17-14(10)13;/h2-6,9,12,18H,7-8H2,1H3;1H/t9-,12+;/m1./s1.
What are the key properties of methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride?
methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 343.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-(5-chloroquinolin-8-yl)oxypyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 126969360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).