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

C25H21Cl3N4O2 — CID 11785628

IUPACN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(N(C)C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H21Cl3N4O2/c1-13(33)29-22-19-12-18(14-5-7-15(26)8-6-14)21(17-10-9-16(27)11-20(17)28)30-24(19)32(4)25(34)23(22)31(2)3/h5-12H,1-4H3,(H,29,33)
InChIKeyFVTHLZNPYMZQAF-UHFFFAOYSA-N
MW515.83 g/mol
LogP6.25
Rot. Bonds4

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

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide (PubChem CID 11785628) has the molecular formula C25H21Cl3N4O2 and a molecular weight of 515.83 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
PubChem CID11785628
Molecular FormulaC25H21Cl3N4O2
Molecular Weight515.83 g/mol
Exact Mass514.07
IUPAC NameN-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(N(C)C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H21Cl3N4O2/c1-13(33)29-22-19-12-18(14-5-7-15(26)8-6-14)21(17-10-9-16(27)11-20(17)28)30-24(19)32(4)25(34)23(22)31(2)3/h5-12H,1-4H3,(H,29,33)
InChIKeyFVTHLZNPYMZQAF-UHFFFAOYSA-N
XLogP6.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.83
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Naphthyridinone
CID 11386747
5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-{[2-(dimethylamino)ethyl]amino}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647639
N'-[(E)-(2-chlorophenyl)methylidene]-2-[5,7-dimethyl-2-oxo[1,8]naphthyridin-1(2H)-yl]acetohydrazide
CID 9584554
N-(5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)pyridin-2-yl)pivalamide
CID 10195276
N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11167681
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11192215
3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2(1H)-one
CID 11260007
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11283445
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)-2-methoxyacetamide
CID 11318758
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)-2-hydroxyacetamide
CID 11341568
N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-isopropyl-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11386749
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-isobutyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11410344

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide (CID 11785628) is N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-(dimethylamino)-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-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide is CC(=O)Nc1c(N(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)-3-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is FVTHLZNPYMZQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl3N4O2/c1-13(33)29-22-19-12-18(14-5-7-15(26)8-6-14)21(17-10-9-16(27)11-20(17)28)30-24(19)32(4)25(34)23(22)31(2)3/h5-12H,1-4H3,(H,29,33).
What are the key properties of N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 515.83 g/mol, XLogP of 6.25, 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-(dimethylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 11785628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).