1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one

C16H19N3O2 — CID 81243745

IUPAC1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one
SMILESCN1CC(Nc2cc(=O)n(C)c3ccccc23)CCC1=O
InChIInChI=1S/C16H19N3O2/c1-18-10-11(7-8-15(18)20)17-13-9-16(21)19(2)14-6-4-3-5-12(13)14/h3-6,9,11,17H,7-8,10H2,1-2H3
InChIKeyHDFVQNKMPNSJTQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.57
Rot. Bonds2

About 1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one

1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one (PubChem CID 81243745) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one
PubChem CID81243745
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one
SMILESCN1CC(Nc2cc(=O)n(C)c3ccccc23)CCC1=O
InChIInChI=1S/C16H19N3O2/c1-18-10-11(7-8-15(18)20)17-13-9-16(21)19(2)14-6-4-3-5-12(13)14/h3-6,9,11,17H,7-8,10H2,1-2H3
InChIKeyHDFVQNKMPNSJTQ-UHFFFAOYSA-N
XLogP1.57
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.57
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-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one?
The IUPAC name of 1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one (CID 81243745) is 1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one is CN1CC(Nc2cc(=O)n(C)c3ccccc23)CCC1=O.
What is the InChIKey of 1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one?
The InChIKey is HDFVQNKMPNSJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-10-11(7-8-15(18)20)17-13-9-16(21)19(2)14-6-4-3-5-12(13)14/h3-6,9,11,17H,7-8,10H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one?
1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one is sourced from PubChem (CID 81243745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).