3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one

C14H15N3O2 — CID 55044537

IUPAC3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one
SMILESCNc1nc2ccccc2cc1CN1CCOC1=O
InChIInChI=1S/C14H15N3O2/c1-15-13-11(9-17-6-7-19-14(17)18)8-10-4-2-3-5-12(10)16-13/h2-5,8H,6-7,9H2,1H3,(H,15,16)
InChIKeyDMFJSXVGLHDTBP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.23
Rot. Bonds3

About 3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one

3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 55044537) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID55044537
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one
SMILESCNc1nc2ccccc2cc1CN1CCOC1=O
InChIInChI=1S/C14H15N3O2/c1-15-13-11(9-17-6-7-19-14(17)18)8-10-4-2-3-5-12(10)16-13/h2-5,8H,6-7,9H2,1H3,(H,15,16)
InChIKeyDMFJSXVGLHDTBP-UHFFFAOYSA-N
XLogP2.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one (CID 55044537) is 3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one is CNc1nc2ccccc2cc1CN1CCOC1=O.
What is the InChIKey of 3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is DMFJSXVGLHDTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-15-13-11(9-17-6-7-19-14(17)18)8-10-4-2-3-5-12(10)16-13/h2-5,8H,6-7,9H2,1H3,(H,15,16).
What are the key properties of 3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one?
3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 55044537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).