1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one

C16H18N2O3 — CID 6622280

IUPAC1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one
SMILESCn1c(=O)cc(OCC(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C16H18N2O3/c1-17-13-7-3-2-6-12(13)14(10-15(17)19)21-11-16(20)18-8-4-5-9-18/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeySKYSEAIPZBSHQF-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.54
Rot. Bonds3

About 1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one

1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one (PubChem CID 6622280) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one
PubChem CID6622280
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one
SMILESCn1c(=O)cc(OCC(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C16H18N2O3/c1-17-13-7-3-2-6-12(13)14(10-15(17)19)21-11-16(20)18-8-4-5-9-18/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeySKYSEAIPZBSHQF-UHFFFAOYSA-N
XLogP1.54
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one?
The IUPAC name of 1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one (CID 6622280) is 1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one.
What is the SMILES notation for 1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one?
The canonical SMILES for 1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one is Cn1c(=O)cc(OCC(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one?
The InChIKey is SKYSEAIPZBSHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17-13-7-3-2-6-12(13)14(10-15(17)19)21-11-16(20)18-8-4-5-9-18/h2-3,6-7,10H,4-5,8-9,11H2,1H3.
What are the key properties of 1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one?
1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one has a molecular weight of 286.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-2-one is sourced from PubChem (CID 6622280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).