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

C17H23N3O — CID 81244561

IUPAC1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one
SMILESCN1CCC(CNc2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C17H23N3O/c1-19-9-7-13(8-10-19)12-18-15-11-17(21)20(2)16-6-4-3-5-14(15)16/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyRPFFRSASOBOQFI-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.29
Rot. Bonds3

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

1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one (PubChem CID 81244561) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one
PubChem CID81244561
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one
SMILESCN1CCC(CNc2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C17H23N3O/c1-19-9-7-13(8-10-19)12-18-15-11-17(21)20(2)16-6-4-3-5-14(15)16/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyRPFFRSASOBOQFI-UHFFFAOYSA-N
XLogP2.29
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one?
The IUPAC name of 1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one (CID 81244561) is 1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one is CN1CCC(CNc2cc(=O)n(C)c3ccccc23)CC1.
What is the InChIKey of 1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one?
The InChIKey is RPFFRSASOBOQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-9-7-13(8-10-19)12-18-15-11-17(21)20(2)16-6-4-3-5-14(15)16/h3-6,11,13,18H,7-10,12H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one?
1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.29, 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-methylpiperidin-4-yl)methylamino]quinolin-2-one is sourced from PubChem (CID 81244561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).