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

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

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Related Compounds

4-Ethylsulfonyl-23-methyl-8,19-dioxa-23-azatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9,11,13,20-octaen-22-one
CID 118137780
4-Ethylsulfonyl-21-methyl-8,17-dioxa-21-azatetracyclo[16.4.0.02,7.09,14]docosa-1(22),2(7),3,5,9,11,13,18-octaen-20-one
CID 118137879
(2R)-N-hydroxy-4-[4-(2-methoxyphenyl)-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 57325602
US10023592, Example 415
CID 118022084
US10023592, Example 405
CID 118023192
US10023592, Example 119
CID 118022321
US10023592, Example 219
CID 118021337
US10023592, Example 457
CID 118021462
US10023592, Example 505
CID 118021464
US10023592, Example 403
CID 118021490
US10023592, Example 476
CID 118021526
US10023592, Example 388
CID 118021635

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).