methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate

C16H18N2O2 — CID 78983917

IUPACmethyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(C)nc3ccccc23)C1
InChIInChI=1S/C16H18N2O2/c1-11-9-15(13-5-3-4-6-14(13)17-11)18-8-7-12(10-18)16(19)20-2/h3-6,9,12H,7-8,10H2,1-2H3
InChIKeyMTAZAJIIHPKTKA-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.54
Rot. Bonds2

About methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate

methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 78983917) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
PubChem CID78983917
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(C)nc3ccccc23)C1
InChIInChI=1S/C16H18N2O2/c1-11-9-15(13-5-3-4-6-14(13)17-11)18-8-7-12(10-18)16(19)20-2/h3-6,9,12H,7-8,10H2,1-2H3
InChIKeyMTAZAJIIHPKTKA-UHFFFAOYSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate (CID 78983917) is methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2cc(C)nc3ccccc23)C1.
What is the InChIKey of methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is MTAZAJIIHPKTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-9-15(13-5-3-4-6-14(13)17-11)18-8-7-12(10-18)16(19)20-2/h3-6,9,12H,7-8,10H2,1-2H3.
What are the key properties of methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate?
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 78983917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).