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

C26H22Cl3N3O2 — CID 11386749

IUPACN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(C)C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H22Cl3N3O2/c1-13(2)22-24(30-14(3)33)20-12-19(15-5-7-16(27)8-6-15)23(31-25(20)32(4)26(22)34)18-10-9-17(28)11-21(18)29/h5-13H,1-4H3,(H,30,33)
InChIKeyRNMRJQUHDLMTCB-UHFFFAOYSA-N
MW514.84 g/mol
LogP7.31
Rot. Bonds4

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

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide (PubChem CID 11386749) has the molecular formula C26H22Cl3N3O2 and a molecular weight of 514.84 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide
PubChem CID11386749
Molecular FormulaC26H22Cl3N3O2
Molecular Weight514.84 g/mol
Exact Mass513.08
IUPAC NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C(C)C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H22Cl3N3O2/c1-13(2)22-24(30-14(3)33)20-12-19(15-5-7-16(27)8-6-15)23(31-25(20)32(4)26(22)34)18-10-9-17(28)11-21(18)29/h5-13H,1-4H3,(H,30,33)
InChIKeyRNMRJQUHDLMTCB-UHFFFAOYSA-N
XLogP7.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.84
LogP ≤ 57.31
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-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide (CID 11386749) is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide is CC(=O)Nc1c(C(C)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-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is RNMRJQUHDLMTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl3N3O2/c1-13(2)22-24(30-14(3)33)20-12-19(15-5-7-16(27)8-6-15)23(31-25(20)32(4)26(22)34)18-10-9-17(28)11-21(18)29/h5-13H,1-4H3,(H,30,33).
What are the key properties of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide?
N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 514.84 g/mol, XLogP of 7.31, 4 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-methyl-2-oxo-3-propan-2-yl-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 11386749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).