N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide

C24H18Cl3N3O2 — CID 11167681

IUPACN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C24H18Cl3N3O2/c1-12-21(28-13(2)31)19-11-18(14-4-6-15(25)7-5-14)22(29-23(19)30(3)24(12)32)17-9-8-16(26)10-20(17)27/h4-11H,1-3H3,(H,28,31)
InChIKeyMHXCSCGWSMXWKK-UHFFFAOYSA-N
MW486.79 g/mol
LogP6.49
Rot. Bonds3

About N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide (PubChem CID 11167681) has the molecular formula C24H18Cl3N3O2 and a molecular weight of 486.79 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
PubChem CID11167681
Molecular FormulaC24H18Cl3N3O2
Molecular Weight486.79 g/mol
Exact Mass485.05
IUPAC NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C24H18Cl3N3O2/c1-12-21(28-13(2)31)19-11-18(14-4-6-15(25)7-5-14)22(29-23(19)30(3)24(12)32)17-9-8-16(26)10-20(17)27/h4-11H,1-3H3,(H,28,31)
InChIKeyMHXCSCGWSMXWKK-UHFFFAOYSA-N
XLogP6.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.79
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide (CID 11167681) is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide is CC(=O)Nc1c(C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is MHXCSCGWSMXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3N3O2/c1-12-21(28-13(2)31)19-11-18(14-4-6-15(25)7-5-14)22(29-23(19)30(3)24(12)32)17-9-8-16(26)10-20(17)27/h4-11H,1-3H3,(H,28,31).
What are the key properties of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 486.79 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 11167681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).