quinolin-8-yl pyrrolidine-1-carboxylate

C14H14N2O2 — CID 970500

IUPACquinolin-8-yl pyrrolidine-1-carboxylate
SMILESO=C(Oc1cccc2cccnc12)N1CCCC1
InChIInChI=1S/C14H14N2O2/c17-14(16-9-1-2-10-16)18-12-7-3-5-11-6-4-8-15-13(11)12/h3-8H,1-2,9-10H2
InChIKeyNSXZLPKBJNPFFH-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.83
Rot. Bonds1

About quinolin-8-yl pyrrolidine-1-carboxylate

quinolin-8-yl pyrrolidine-1-carboxylate (PubChem CID 970500) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is quinolin-8-yl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl pyrrolidine-1-carboxylate
PubChem CID970500
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namequinolin-8-yl pyrrolidine-1-carboxylate
SMILESO=C(Oc1cccc2cccnc12)N1CCCC1
InChIInChI=1S/C14H14N2O2/c17-14(16-9-1-2-10-16)18-12-7-3-5-11-6-4-8-15-13(11)12/h3-8H,1-2,9-10H2
InChIKeyNSXZLPKBJNPFFH-UHFFFAOYSA-N
XLogP2.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl pyrrolidine-1-carboxylate?
The IUPAC name of quinolin-8-yl pyrrolidine-1-carboxylate (CID 970500) is quinolin-8-yl pyrrolidine-1-carboxylate.
What is the SMILES notation for quinolin-8-yl pyrrolidine-1-carboxylate?
The canonical SMILES for quinolin-8-yl pyrrolidine-1-carboxylate is O=C(Oc1cccc2cccnc12)N1CCCC1.
What is the InChIKey of quinolin-8-yl pyrrolidine-1-carboxylate?
The InChIKey is NSXZLPKBJNPFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(16-9-1-2-10-16)18-12-7-3-5-11-6-4-8-15-13(11)12/h3-8H,1-2,9-10H2.
What are the key properties of quinolin-8-yl pyrrolidine-1-carboxylate?
quinolin-8-yl pyrrolidine-1-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl pyrrolidine-1-carboxylate is sourced from PubChem (CID 970500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).