4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one

C17H21N3O2 — CID 119560721

IUPAC4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCNC1CCN(C(=O)c2c(C)c3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C17H21N3O2/c1-11-13-5-3-4-6-14(13)19-16(21)15(11)17(22)20-9-7-12(18-2)8-10-20/h3-6,12,18H,7-10H2,1-2H3,(H,19,21)
InChIKeyKOOXPQGXQWAJOA-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.66
Rot. Bonds2

About 4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one

4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 119560721) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID119560721
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCNC1CCN(C(=O)c2c(C)c3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C17H21N3O2/c1-11-13-5-3-4-6-14(13)19-16(21)15(11)17(22)20-9-7-12(18-2)8-10-20/h3-6,12,18H,7-10H2,1-2H3,(H,19,21)
InChIKeyKOOXPQGXQWAJOA-UHFFFAOYSA-N
XLogP1.66
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119539340
5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122119684
3-methyl-4-(pyrrolidine-1-carbonyl)-1H-quinolin-2-one
CID 131849523
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119561443
(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563968
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560822
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one (CID 119560721) is 4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one is CNC1CCN(C(=O)c2c(C)c3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is KOOXPQGXQWAJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-13-5-3-4-6-14(13)19-16(21)15(11)17(22)20-9-7-12(18-2)8-10-20/h3-6,12,18H,7-10H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one?
4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 299.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 119560721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).