8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one

C19H16Cl3FN2O3S — CID 168824693

IUPAC8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(CCCS(C)(=O)=O)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C19H16Cl3FN2O3S/c1-10-6-16(26)17-15(4-3-5-29(2,27)28)24-9-14(22)19(17)25(10)18-12(20)7-11(23)8-13(18)21/h6-9H,3-5H2,1-2H3
InChIKeyOCMJJVMTYFBAJY-UHFFFAOYSA-N
MW477.77 g/mol
LogP4.77
Rot. Bonds5

About 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one

8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one (PubChem CID 168824693) has the molecular formula C19H16Cl3FN2O3S and a molecular weight of 477.77 g/mol. Its IUPAC name is 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one
PubChem CID168824693
Molecular FormulaC19H16Cl3FN2O3S
Molecular Weight477.77 g/mol
Exact Mass475.99
IUPAC Name8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one
SMILESCc1cc(=O)c2c(CCCS(C)(=O)=O)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C19H16Cl3FN2O3S/c1-10-6-16(26)17-15(4-3-5-29(2,27)28)24-9-14(22)19(17)25(10)18-12(20)7-11(23)8-13(18)21/h6-9H,3-5H2,1-2H3
InChIKeyOCMJJVMTYFBAJY-UHFFFAOYSA-N
XLogP4.77
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.77
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one?
The IUPAC name of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one (CID 168824693) is 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one is Cc1cc(=O)c2c(CCCS(C)(=O)=O)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one?
The InChIKey is OCMJJVMTYFBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3FN2O3S/c1-10-6-16(26)17-15(4-3-5-29(2,27)28)24-9-14(22)19(17)25(10)18-12(20)7-11(23)8-13(18)21/h6-9H,3-5H2,1-2H3.
What are the key properties of 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one?
8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one has a molecular weight of 477.77 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfonylpropyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 168824693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).