3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one

C25H20Cl3N3O2 — CID 11477574

IUPAC3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one
SMILESCC(=O)c1c(N(C)C)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O
InChIInChI=1S/C25H20Cl3N3O2/c1-13(32)21-23(30(2)3)19-12-18(14-5-7-15(26)8-6-14)22(29-24(19)31(4)25(21)33)17-10-9-16(27)11-20(17)28/h5-12H,1-4H3
InChIKeyUWQVZDDDOKWIOS-UHFFFAOYSA-N
MW500.81 g/mol
LogP6.50
Rot. Bonds4

About 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one

3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one (PubChem CID 11477574) has the molecular formula C25H20Cl3N3O2 and a molecular weight of 500.81 g/mol. Its IUPAC name is 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one
PubChem CID11477574
Molecular FormulaC25H20Cl3N3O2
Molecular Weight500.81 g/mol
Exact Mass499.06
IUPAC Name3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one
SMILESCC(=O)c1c(N(C)C)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O
InChIInChI=1S/C25H20Cl3N3O2/c1-13(32)21-23(30(2)3)19-12-18(14-5-7-15(26)8-6-14)22(29-24(19)31(4)25(21)33)17-10-9-16(27)11-20(17)28/h5-12H,1-4H3
InChIKeyUWQVZDDDOKWIOS-UHFFFAOYSA-N
XLogP6.50
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.81
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one (CID 11477574) is 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one is CC(=O)c1c(N(C)C)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O.
What is the InChIKey of 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is UWQVZDDDOKWIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3N3O2/c1-13(32)21-23(30(2)3)19-12-18(14-5-7-15(26)8-6-14)22(29-24(19)31(4)25(21)33)17-10-9-16(27)11-20(17)28/h5-12H,1-4H3.
What are the key properties of 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one?
3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 500.81 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-4-(dimethylamino)-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 11477574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).