(2-methylquinolin-6-yl) pyrrolidine-1-carboxylate

C15H16N2O2 — CID 59825519

IUPAC(2-methylquinolin-6-yl) pyrrolidine-1-carboxylate
SMILESCc1ccc2cc(OC(=O)N3CCCC3)ccc2n1
InChIInChI=1S/C15H16N2O2/c1-11-4-5-12-10-13(6-7-14(12)16-11)19-15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3
InChIKeyUCIWHPWHXFJDRE-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.14
Rot. Bonds1

About (2-methylquinolin-6-yl) pyrrolidine-1-carboxylate

(2-methylquinolin-6-yl) pyrrolidine-1-carboxylate (PubChem CID 59825519) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (2-methylquinolin-6-yl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2-methylquinolin-6-yl) pyrrolidine-1-carboxylate
PubChem CID59825519
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(2-methylquinolin-6-yl) pyrrolidine-1-carboxylate
SMILESCc1ccc2cc(OC(=O)N3CCCC3)ccc2n1
InChIInChI=1S/C15H16N2O2/c1-11-4-5-12-10-13(6-7-14(12)16-11)19-15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3
InChIKeyUCIWHPWHXFJDRE-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-6-yl) pyrrolidine-1-carboxylate?
The IUPAC name of (2-methylquinolin-6-yl) pyrrolidine-1-carboxylate (CID 59825519) is (2-methylquinolin-6-yl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (2-methylquinolin-6-yl) pyrrolidine-1-carboxylate?
The canonical SMILES for (2-methylquinolin-6-yl) pyrrolidine-1-carboxylate is Cc1ccc2cc(OC(=O)N3CCCC3)ccc2n1.
What is the InChIKey of (2-methylquinolin-6-yl) pyrrolidine-1-carboxylate?
The InChIKey is UCIWHPWHXFJDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-4-5-12-10-13(6-7-14(12)16-11)19-15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of (2-methylquinolin-6-yl) pyrrolidine-1-carboxylate?
(2-methylquinolin-6-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-6-yl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 59825519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).