1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one

C17H21N3O3 — CID 6622311

IUPAC1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
SMILESCN1CCN(C(=O)COc2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C17H21N3O3/c1-18-7-9-20(10-8-18)17(22)12-23-15-11-16(21)19(2)14-6-4-3-5-13(14)15/h3-6,11H,7-10,12H2,1-2H3
InChIKeyXWSCGYOWQISXRS-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.69
Rot. Bonds3

About 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one

1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one (PubChem CID 6622311) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
PubChem CID6622311
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
SMILESCN1CCN(C(=O)COc2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C17H21N3O3/c1-18-7-9-20(10-8-18)17(22)12-23-15-11-16(21)19(2)14-6-4-3-5-13(14)15/h3-6,11H,7-10,12H2,1-2H3
InChIKeyXWSCGYOWQISXRS-UHFFFAOYSA-N
XLogP0.69
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one
CID 3244800
1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one
CID 20861922
2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 61400060
4-[4-(4-benzylpiperidin-1-yl)-4-oxobutoxy]-1-methylquinolin-2-one
CID 20862035
2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone
CID 172671480
2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 28561862
N-(9-ethylcarbazol-3-yl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861837
2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43503608
(1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate
CID 2786360
N-(3-chloro-4-methoxyphenyl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 122175567
N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861851
4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one
CID 12031180

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one?
The IUPAC name of 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one (CID 6622311) is 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one is CN1CCN(C(=O)COc2cc(=O)n(C)c3ccccc23)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one?
The InChIKey is XWSCGYOWQISXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-18-7-9-20(10-8-18)17(22)12-23-15-11-16(21)19(2)14-6-4-3-5-13(14)15/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one?
1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one has a molecular weight of 315.37 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one is sourced from PubChem (CID 6622311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).