(2-methylquinolin-8-yl) pyrrolidine-1-carboxylate

C15H16N2O2 — CID 970906

IUPAC(2-methylquinolin-8-yl) pyrrolidine-1-carboxylate
SMILESCc1ccc2cccc(OC(=O)N3CCCC3)c2n1
InChIInChI=1S/C15H16N2O2/c1-11-7-8-12-5-4-6-13(14(12)16-11)19-15(18)17-9-2-3-10-17/h4-8H,2-3,9-10H2,1H3
InChIKeyLQSJSSOZOSLORG-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.14
Rot. Bonds1

About (2-methylquinolin-8-yl) pyrrolidine-1-carboxylate

(2-methylquinolin-8-yl) pyrrolidine-1-carboxylate (PubChem CID 970906) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (2-methylquinolin-8-yl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2-methylquinolin-8-yl) pyrrolidine-1-carboxylate
PubChem CID970906
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(2-methylquinolin-8-yl) pyrrolidine-1-carboxylate
SMILESCc1ccc2cccc(OC(=O)N3CCCC3)c2n1
InChIInChI=1S/C15H16N2O2/c1-11-7-8-12-5-4-6-13(14(12)16-11)19-15(18)17-9-2-3-10-17/h4-8H,2-3,9-10H2,1H3
InChIKeyLQSJSSOZOSLORG-UHFFFAOYSA-N
XLogP3.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl) pyrrolidine-1-carboxylate?
The IUPAC name of (2-methylquinolin-8-yl) pyrrolidine-1-carboxylate (CID 970906) is (2-methylquinolin-8-yl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (2-methylquinolin-8-yl) pyrrolidine-1-carboxylate?
The canonical SMILES for (2-methylquinolin-8-yl) pyrrolidine-1-carboxylate is Cc1ccc2cccc(OC(=O)N3CCCC3)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl) pyrrolidine-1-carboxylate?
The InChIKey is LQSJSSOZOSLORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-7-8-12-5-4-6-13(14(12)16-11)19-15(18)17-9-2-3-10-17/h4-8H,2-3,9-10H2,1H3.
What are the key properties of (2-methylquinolin-8-yl) pyrrolidine-1-carboxylate?
(2-methylquinolin-8-yl) pyrrolidine-1-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 970906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).