1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one

C16H21N3O — CID 81244583

IUPAC1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one
SMILESCN1CCC(CNc2cc(=O)n(C)c3ccccc23)C1
InChIInChI=1S/C16H21N3O/c1-18-8-7-12(11-18)10-17-14-9-16(20)19(2)15-6-4-3-5-13(14)15/h3-6,9,12,17H,7-8,10-11H2,1-2H3
InChIKeyUSMFEWWDMCLVHM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds3

About 1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one

1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one (PubChem CID 81244583) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one
PubChem CID81244583
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one
SMILESCN1CCC(CNc2cc(=O)n(C)c3ccccc23)C1
InChIInChI=1S/C16H21N3O/c1-18-8-7-12(11-18)10-17-14-9-16(20)19(2)15-6-4-3-5-13(14)15/h3-6,9,12,17H,7-8,10-11H2,1-2H3
InChIKeyUSMFEWWDMCLVHM-UHFFFAOYSA-N
XLogP1.90
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one
CID 81244561
1-methyl-4-(oxolan-3-ylmethylamino)quinolin-2-one
CID 81244304
1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one
CID 81244559
4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one
CID 81243675
4-(3-aminobutylamino)-1-methylquinolin-2-one
CID 81237638
4-(butylamino)-1-methylquinolin-2-one
CID 81244865
4-(cyclobutylamino)-1-methylquinolin-2-one
CID 81244035
1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one
CID 81243681
1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one
CID 81244482
4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one
CID 81244227
1-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]quinolin-2-one
CID 106258245
1-methyl-4-(pent-3-ynylamino)quinolin-2-one
CID 116644399

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one?
The IUPAC name of 1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one (CID 81244583) is 1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one is CN1CCC(CNc2cc(=O)n(C)c3ccccc23)C1.
What is the InChIKey of 1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one?
The InChIKey is USMFEWWDMCLVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18-8-7-12(11-18)10-17-14-9-16(20)19(2)15-6-4-3-5-13(14)15/h3-6,9,12,17H,7-8,10-11H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one?
1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one has a molecular weight of 271.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one is sourced from PubChem (CID 81244583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).