1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one

C15H18N2O — CID 84630283

IUPAC1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one
SMILESCc1cccc2cc(C3CCNC3)c(=O)n(C)c12
InChIInChI=1S/C15H18N2O/c1-10-4-3-5-11-8-13(12-6-7-16-9-12)15(18)17(2)14(10)11/h3-5,8,12,16H,6-7,9H2,1-2H3
InChIKeyRQCKAMRACCLXPL-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.92
Rot. Bonds1

About 1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one

1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one (PubChem CID 84630283) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one.

Molecular Properties

Compound Name1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one
PubChem CID84630283
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one
SMILESCc1cccc2cc(C3CCNC3)c(=O)n(C)c12
InChIInChI=1S/C15H18N2O/c1-10-4-3-5-11-8-13(12-6-7-16-9-12)15(18)17(2)14(10)11/h3-5,8,12,16H,6-7,9H2,1-2H3
InChIKeyRQCKAMRACCLXPL-UHFFFAOYSA-N
XLogP1.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one?
The IUPAC name of 1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one (CID 84630283) is 1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one.
What is the SMILES notation for 1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one?
The canonical SMILES for 1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one is Cc1cccc2cc(C3CCNC3)c(=O)n(C)c12.
What is the InChIKey of 1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one?
The InChIKey is RQCKAMRACCLXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-4-3-5-11-8-13(12-6-7-16-9-12)15(18)17(2)14(10)11/h3-5,8,12,16H,6-7,9H2,1-2H3.
What are the key properties of 1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one?
1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one has a molecular weight of 242.32 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one is sourced from PubChem (CID 84630283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).