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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Related Compounds

8-Methoxyquinolin-2-amine
CID 22266820
8-Methoxy-2-piperazin-1-yl-quinoline
CID 22636319
6-methoxy-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)quinolin-2-amine
CID 24806071
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide
CID 3213295
N-Methyl-8-(1,3,3-trimethylbutoxy)quinolin-2-amine
CID 11778029
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine
CID 22998900
2-(1-Azepanyl)-8-methoxy-4-methylquinoline
CID 870948
8-Methoxy-2-(4-methyl-piperazin-1-yl)-quinoline
CID 44316216
Cyclopropanecarboxylic acid [2-(6-ethoxy-3-methyl-quinolin-2-ylamino)-ethyl]-amide
CID 652221
(6-Methoxy-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)-methyl-amine
CID 15749853
2-(6-Methoxy-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-ylamino)-ethanol
CID 15749854
N-cyclopentyl-2-[(2-methoxyphenyl)amino]quinoline-4-carboxamide
CID 15990935

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).