3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one

C20H16N2O4 — CID 156780790

IUPAC3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc2[nH]cc(C(=O)N3C(=O)OCC3c3ccccc3)c(=O)c2c1
InChIInChI=1S/C20H16N2O4/c1-12-7-8-16-14(9-12)18(23)15(10-21-16)19(24)22-17(11-26-20(22)25)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,21,23)
InChIKeyFDGDZGFHLDZBCQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.17
Rot. Bonds2

About 3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one

3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 156780790) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID156780790
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc2[nH]cc(C(=O)N3C(=O)OCC3c3ccccc3)c(=O)c2c1
InChIInChI=1S/C20H16N2O4/c1-12-7-8-16-14(9-12)18(23)15(10-21-16)19(24)22-17(11-26-20(22)25)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,21,23)
InChIKeyFDGDZGFHLDZBCQ-UHFFFAOYSA-N
XLogP3.17
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one (CID 156780790) is 3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one is Cc1ccc2[nH]cc(C(=O)N3C(=O)OCC3c3ccccc3)c(=O)c2c1.
What is the InChIKey of 3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is FDGDZGFHLDZBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-12-7-8-16-14(9-12)18(23)15(10-21-16)19(24)22-17(11-26-20(22)25)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,21,23).
What are the key properties of 3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one?
3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 348.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 156780790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).