6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one

C19H24N2O4S — CID 118028040

IUPAC6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one
SMILESCCN1CCc2c(c(-c3cc(S(C)(=O)=O)ccc3OC)cn(C)c2=O)C1
InChIInChI=1S/C19H24N2O4S/c1-5-21-9-8-14-17(12-21)16(11-20(2)19(14)22)15-10-13(26(4,23)24)6-7-18(15)25-3/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKeyZLNOZNUMBHHTCR-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.84
Rot. Bonds4

About 6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one

6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one (PubChem CID 118028040) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one
PubChem CID118028040
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one
SMILESCCN1CCc2c(c(-c3cc(S(C)(=O)=O)ccc3OC)cn(C)c2=O)C1
InChIInChI=1S/C19H24N2O4S/c1-5-21-9-8-14-17(12-21)16(11-20(2)19(14)22)15-10-13(26(4,23)24)6-7-18(15)25-3/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKeyZLNOZNUMBHHTCR-UHFFFAOYSA-N
XLogP1.84
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
The IUPAC name of 6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one (CID 118028040) is 6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one.
What is the SMILES notation for 6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
The canonical SMILES for 6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one is CCN1CCc2c(c(-c3cc(S(C)(=O)=O)ccc3OC)cn(C)c2=O)C1.
What is the InChIKey of 6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
The InChIKey is ZLNOZNUMBHHTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-5-21-9-8-14-17(12-21)16(11-20(2)19(14)22)15-10-13(26(4,23)24)6-7-18(15)25-3/h6-7,10-11H,5,8-9,12H2,1-4H3.
What are the key properties of 6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one has a molecular weight of 376.48 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one is sourced from PubChem (CID 118028040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).