3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one

C15H17N3O2 — CID 45229761

IUPAC3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one
SMILESCOc1cccc2ccc(NC3CCN(C)C3=O)nc12
InChIInChI=1S/C15H17N3O2/c1-18-9-8-11(15(18)19)16-13-7-6-10-4-3-5-12(20-2)14(10)17-13/h3-7,11H,8-9H2,1-2H3,(H,16,17)
InChIKeyGVJVNFIAJJPABO-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.89
Rot. Bonds3

About 3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one

3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 45229761) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID45229761
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one
SMILESCOc1cccc2ccc(NC3CCN(C)C3=O)nc12
InChIInChI=1S/C15H17N3O2/c1-18-9-8-11(15(18)19)16-13-7-6-10-4-3-5-12(20-2)14(10)17-13/h3-7,11H,8-9H2,1-2H3,(H,16,17)
InChIKeyGVJVNFIAJJPABO-UHFFFAOYSA-N
XLogP1.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one (CID 45229761) is 3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one is COc1cccc2ccc(NC3CCN(C)C3=O)nc12.
What is the InChIKey of 3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is GVJVNFIAJJPABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-9-8-11(15(18)19)16-13-7-6-10-4-3-5-12(20-2)14(10)17-13/h3-7,11H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one?
3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 45229761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).