3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide

C19H15F2N3O5S — CID 168873929

IUPAC3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2c3c(cnc2c1)COC(=O)N3Cc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C19H15F2N3O5S/c1-28-11-2-3-13-17(4-11)23-7-10-9-29-19(25)24(18(10)13)8-14-15(20)5-12(6-16(14)21)30(22,26)27/h2-7H,8-9H2,1H3,(H2,22,26,27)
InChIKeyORSNKYGVOVWRNV-UHFFFAOYSA-N
MW435.41 g/mol
LogP2.83
Rot. Bonds4

About 3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide

3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide (PubChem CID 168873929) has the molecular formula C19H15F2N3O5S and a molecular weight of 435.41 g/mol. Its IUPAC name is 3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide
PubChem CID168873929
Molecular FormulaC19H15F2N3O5S
Molecular Weight435.41 g/mol
Exact Mass435.07
IUPAC Name3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2c3c(cnc2c1)COC(=O)N3Cc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C19H15F2N3O5S/c1-28-11-2-3-13-17(4-11)23-7-10-9-29-19(25)24(18(10)13)8-14-15(20)5-12(6-16(14)21)30(22,26)27/h2-7H,8-9H2,1H3,(H2,22,26,27)
InChIKeyORSNKYGVOVWRNV-UHFFFAOYSA-N
XLogP2.83
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide (CID 168873929) is 3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide is COc1ccc2c3c(cnc2c1)COC(=O)N3Cc1c(F)cc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide?
The InChIKey is ORSNKYGVOVWRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O5S/c1-28-11-2-3-13-17(4-11)23-7-10-9-29-19(25)24(18(10)13)8-14-15(20)5-12(6-16(14)21)30(22,26)27/h2-7H,8-9H2,1H3,(H2,22,26,27).
What are the key properties of 3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide?
3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide has a molecular weight of 435.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 168873929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).