5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one

C15H16N2O — CID 113441333

IUPAC5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one
SMILESCc1cc(CC2CCC(=O)N2)c2ccccc2n1
InChIInChI=1S/C15H16N2O/c1-10-8-11(9-12-6-7-15(18)17-12)13-4-2-3-5-14(13)16-10/h2-5,8,12H,6-7,9H2,1H3,(H,17,18)
InChIKeyCSOQOHSJHDLDHQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.36
Rot. Bonds2

About 5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one

5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one (PubChem CID 113441333) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one
PubChem CID113441333
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one
SMILESCc1cc(CC2CCC(=O)N2)c2ccccc2n1
InChIInChI=1S/C15H16N2O/c1-10-8-11(9-12-6-7-15(18)17-12)13-4-2-3-5-14(13)16-10/h2-5,8,12H,6-7,9H2,1H3,(H,17,18)
InChIKeyCSOQOHSJHDLDHQ-UHFFFAOYSA-N
XLogP2.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one (CID 113441333) is 5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one is Cc1cc(CC2CCC(=O)N2)c2ccccc2n1.
What is the InChIKey of 5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is CSOQOHSJHDLDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-8-11(9-12-6-7-15(18)17-12)13-4-2-3-5-14(13)16-10/h2-5,8,12H,6-7,9H2,1H3,(H,17,18).
What are the key properties of 5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one?
5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 240.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 113441333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).