4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one

C20H20N2O4S — CID 118028015

IUPAC4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2cnccc2c1=O
InChIInChI=1S/C20H20N2O4S/c1-22-11-18(17-10-21-8-7-15(17)20(22)23)16-9-14(27(2,24)25)5-6-19(16)26-12-13-3-4-13/h5-11,13H,3-4,12H2,1-2H3
InChIKeyVUMQUXAUXZESGE-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.79
Rot. Bonds5

About 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one

4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one (PubChem CID 118028015) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one
PubChem CID118028015
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2cnccc2c1=O
InChIInChI=1S/C20H20N2O4S/c1-22-11-18(17-10-21-8-7-15(17)20(22)23)16-9-14(27(2,24)25)5-6-19(16)26-12-13-3-4-13/h5-11,13H,3-4,12H2,1-2H3
InChIKeyVUMQUXAUXZESGE-UHFFFAOYSA-N
XLogP2.79
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one?
The IUPAC name of 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one (CID 118028015) is 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one is Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2cnccc2c1=O.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one?
The InChIKey is VUMQUXAUXZESGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-22-11-18(17-10-21-8-7-15(17)20(22)23)16-9-14(27(2,24)25)5-6-19(16)26-12-13-3-4-13/h5-11,13H,3-4,12H2,1-2H3.
What are the key properties of 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one?
4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one has a molecular weight of 384.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one is sourced from PubChem (CID 118028015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).