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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Related Compounds

5,8-Dichloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one
CID 134453138
tert-butyl N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]carbamate
CID 168824653
8-Chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-(3-methylsulfanylpropyl)-1,6-naphthyridin-4-one
CID 168824658
8-Chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-5-prop-2-enyl-1,6-naphthyridin-4-one
CID 168824666
8-Chloro-1-(2,6-dichloro-4-fluorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one
CID 168824670
N-[3-[8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propyl]acetamide
CID 168824690
3-[8-Chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-4-oxo-1,6-naphthyridin-5-yl]propylcarbamic acid
CID 169712797
5-(3-Aminopropyl)-8-chloro-1-(2,6-dichloro-4-fluorophenyl)-2-methyl-1,6-naphthyridin-4-one
CID 168824696
7-Methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one
CID 20791125
6-(2,6-Dichlorophenyl)-8,8-dimethyl-7,7-dioxothiopyrano[3,4-b]pyridin-5-one
CID 123717276
5-Acetyl-8-chloro-1-(2,6-dichlorophenyl)-2-methyl-1,6-naphthyridin-4-one
CID 134453239
8-Chloro-1-(2,6-dichlorophenyl)-5-ethenyl-2-methyl-1,6-naphthyridin-4-one
CID 134453240

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).