4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one

C17H21N3O2 — CID 119539340

IUPAC4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESCNCC1CCN(C(=O)c2c(C)c3ccccc3[nH]c2=O)C1
InChIInChI=1S/C17H21N3O2/c1-11-13-5-3-4-6-14(13)19-16(21)15(11)17(22)20-8-7-12(10-20)9-18-2/h3-6,12,18H,7-10H2,1-2H3,(H,19,21)
InChIKeyRBGRUIUBAZTXLU-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.52
Rot. Bonds3

About 4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one

4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 119539340) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID119539340
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESCNCC1CCN(C(=O)c2c(C)c3ccccc3[nH]c2=O)C1
InChIInChI=1S/C17H21N3O2/c1-11-13-5-3-4-6-14(13)19-16(21)15(11)17(22)20-8-7-12(10-20)9-18-2/h3-6,12,18H,7-10H2,1-2H3,(H,19,21)
InChIKeyRBGRUIUBAZTXLU-UHFFFAOYSA-N
XLogP1.52
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[4-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 119560721
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
4-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]chromen-2-one
CID 119397937
5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122119684
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538582
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one;hydrochloride
CID 119542618
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119542313
3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119539121

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one (CID 119539340) is 4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one is CNCC1CCN(C(=O)c2c(C)c3ccccc3[nH]c2=O)C1.
What is the InChIKey of 4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is RBGRUIUBAZTXLU-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)20-8-7-12(10-20)9-18-2/h3-6,12,18H,7-10H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 299.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 119539340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).