3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen

C18H20F2N4O4 — CID 145471032

IUPAC3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen
SMILESCc1c(N2CC(CNc3ccon3)OC2=O)ccc2c1C(F)(F)CC(=O)N2C.[H][H]
InChIInChI=1S/C18H18F2N4O4.H2/c1-10-12(3-4-13-16(10)18(19,20)7-15(25)23(13)2)24-9-11(28-17(24)26)8-21-14-5-6-27-22-14;/h3-6,11H,7-9H2,1-2H3,(H,21,22);1H
InChIKeyGFKBFTUOKGCGDX-UHFFFAOYSA-N
MW394.38 g/mol
LogP3.12
Rot. Bonds4

About 3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen

3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen (PubChem CID 145471032) has the molecular formula C18H20F2N4O4 and a molecular weight of 394.38 g/mol. Its IUPAC name is 3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen
PubChem CID145471032
Molecular FormulaC18H20F2N4O4
Molecular Weight394.38 g/mol
Exact Mass394.15
IUPAC Name3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen
SMILESCc1c(N2CC(CNc3ccon3)OC2=O)ccc2c1C(F)(F)CC(=O)N2C.[H][H]
InChIInChI=1S/C18H18F2N4O4.H2/c1-10-12(3-4-13-16(10)18(19,20)7-15(25)23(13)2)24-9-11(28-17(24)26)8-21-14-5-6-27-22-14;/h3-6,11H,7-9H2,1-2H3,(H,21,22);1H
InChIKeyGFKBFTUOKGCGDX-UHFFFAOYSA-N
XLogP3.12
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen?
The IUPAC name of 3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen (CID 145471032) is 3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen.
What is the SMILES notation for 3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen?
The canonical SMILES for 3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen is Cc1c(N2CC(CNc3ccon3)OC2=O)ccc2c1C(F)(F)CC(=O)N2C.[H][H].
What is the InChIKey of 3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen?
The InChIKey is GFKBFTUOKGCGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O4.H2/c1-10-12(3-4-13-16(10)18(19,20)7-15(25)23(13)2)24-9-11(28-17(24)26)8-21-14-5-6-27-22-14;/h3-6,11H,7-9H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen?
3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen has a molecular weight of 394.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoro-1,5-dimethyl-2-oxo-3H-quinolin-6-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one;molecular hydrogen is sourced from PubChem (CID 145471032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).