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

C20H26N2O4S — CID 118028039

IUPAC4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one
SMILESCOc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2c1CN(C(C)C)CC2
InChIInChI=1S/C20H26N2O4S/c1-13(2)22-9-8-15-18(12-22)17(11-21(3)20(15)23)16-10-14(27(5,24)25)6-7-19(16)26-4/h6-7,10-11,13H,8-9,12H2,1-5H3
InChIKeyARVYODNMJININW-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.23
Rot. Bonds4

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

4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one (PubChem CID 118028039) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one
PubChem CID118028039
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one
SMILESCOc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2c1CN(C(C)C)CC2
InChIInChI=1S/C20H26N2O4S/c1-13(2)22-9-8-15-18(12-22)17(11-21(3)20(15)23)16-10-14(27(5,24)25)6-7-19(16)26-4/h6-7,10-11,13H,8-9,12H2,1-5H3
InChIKeyARVYODNMJININW-UHFFFAOYSA-N
XLogP2.23
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one
CID 118028040
6-(1-cyclohexylpyrazol-4-yl)-4-(2-methoxy-5-methylsulfonylphenyl)-2-methylisoquinolin-1-one
CID 146706817
6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
CID 71450218
4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-[1-(pyrrolidin-3-ylidenemethyl)pyrazol-4-yl]isoquinolin-1-one
CID 123430009
2-methyl-4-[5-methylsulfonyl-2-(3-oxocyclopentyl)oxyphenyl]isoquinolin-1-one
CID 151631773
4-(5-ethylsulfonyl-2-methoxyphenyl)-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-1-one
CID 118027947
4-(5-ethylsulfonyl-2-methoxyphenyl)-7-fluoro-2-methylisoquinolin-1-one
CID 118027894
4-(2-ethoxy-5-methylsulfonylphenyl)-2-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-1-one
CID 118021678
3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117451531
6-chloro-4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
CID 118027910
5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022252
4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one
CID 118028015

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
The IUPAC name of 4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one (CID 118028039) is 4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one.
What is the SMILES notation for 4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
The canonical SMILES for 4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one is COc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2c1CN(C(C)C)CC2.
What is the InChIKey of 4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
The InChIKey is ARVYODNMJININW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-13(2)22-9-8-15-18(12-22)17(11-21(3)20(15)23)16-10-14(27(5,24)25)6-7-19(16)26-4/h6-7,10-11,13H,8-9,12H2,1-5H3.
What are the key properties of 4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one?
4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one has a molecular weight of 390.51 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-6-propan-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-one is sourced from PubChem (CID 118028039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).