6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C15H12ClN3O3S — CID 135382290

IUPAC6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C15H12ClN3O3S/c1-19-13-10(8-17-15(18-13)23(2,21)22)7-12(14(19)20)9-3-5-11(16)6-4-9/h3-8H,1-2H3
InChIKeyTWLGRDCGDNJMOF-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.05
Rot. Bonds2

About 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 135382290) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID135382290
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C15H12ClN3O3S/c1-19-13-10(8-17-15(18-13)23(2,21)22)7-12(14(19)20)9-3-5-11(16)6-4-9/h3-8H,1-2H3
InChIKeyTWLGRDCGDNJMOF-UHFFFAOYSA-N
XLogP2.05
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 135382290) is 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(S(C)(=O)=O)nc21.
What is the InChIKey of 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is TWLGRDCGDNJMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-19-13-10(8-17-15(18-13)23(2,21)22)7-12(14(19)20)9-3-5-11(16)6-4-9/h3-8H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 349.80 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 135382290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).