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

C24H18Cl3N3O3 — CID 11443469

IUPACN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCOc1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O
InChIInChI=1S/C24H18Cl3N3O3/c1-12(31)28-21-18-11-17(13-4-6-14(25)7-5-13)20(16-9-8-15(26)10-19(16)27)29-23(18)30(2)24(32)22(21)33-3/h4-11H,1-3H3,(H,28,31)
InChIKeyBRJYGKRICFKEAO-UHFFFAOYSA-N
MW502.79 g/mol
LogP6.19
Rot. Bonds4

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

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide (PubChem CID 11443469) has the molecular formula C24H18Cl3N3O3 and a molecular weight of 502.79 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
PubChem CID11443469
Molecular FormulaC24H18Cl3N3O3
Molecular Weight502.79 g/mol
Exact Mass501.04
IUPAC NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCOc1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O
InChIInChI=1S/C24H18Cl3N3O3/c1-12(31)28-21-18-11-17(13-4-6-14(25)7-5-13)20(16-9-8-15(26)10-19(16)27)29-23(18)30(2)24(32)22(21)33-3/h4-11H,1-3H3,(H,28,31)
InChIKeyBRJYGKRICFKEAO-UHFFFAOYSA-N
XLogP6.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.79
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide (CID 11443469) is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide is COc1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O.
What is the InChIKey of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is BRJYGKRICFKEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3N3O3/c1-12(31)28-21-18-11-17(13-4-6-14(25)7-5-13)20(16-9-8-15(26)10-19(16)27)29-23(18)30(2)24(32)22(21)33-3/h4-11H,1-3H3,(H,28,31).
What are the key properties of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 502.79 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 11443469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).