9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one

C25H18Cl3N3O2 — CID 11191223

IUPAC9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one
SMILESCC1=Nc2c(c(=O)n(C)c3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc23)C(C)O1
InChIInChI=1S/C25H18Cl3N3O2/c1-12-21-23(29-13(2)33-12)19-11-18(14-4-6-15(26)7-5-14)22(30-24(19)31(3)25(21)32)17-9-8-16(27)10-20(17)28/h4-12H,1-3H3
InChIKeySDGLFXVDRAAZLX-UHFFFAOYSA-N
MW498.80 g/mol
LogP7.37
Rot. Bonds2

About 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one

9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one (PubChem CID 11191223) has the molecular formula C25H18Cl3N3O2 and a molecular weight of 498.80 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one
PubChem CID11191223
Molecular FormulaC25H18Cl3N3O2
Molecular Weight498.80 g/mol
Exact Mass497.05
IUPAC Name9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one
SMILESCC1=Nc2c(c(=O)n(C)c3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc23)C(C)O1
InChIInChI=1S/C25H18Cl3N3O2/c1-12-21-23(29-13(2)33-12)19-11-18(14-4-6-15(26)7-5-14)22(30-24(19)31(3)25(21)32)17-9-8-16(27)10-20(17)28/h4-12H,1-3H3
InChIKeySDGLFXVDRAAZLX-UHFFFAOYSA-N
XLogP7.37
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.80
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one?
The IUPAC name of 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one (CID 11191223) is 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one.
What is the SMILES notation for 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one?
The canonical SMILES for 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one is CC1=Nc2c(c(=O)n(C)c3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc23)C(C)O1.
What is the InChIKey of 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one?
The InChIKey is SDGLFXVDRAAZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl3N3O2/c1-12-21-23(29-13(2)33-12)19-11-18(14-4-6-15(26)7-5-14)22(30-24(19)31(3)25(21)32)17-9-8-16(27)10-20(17)28/h4-12H,1-3H3.
What are the key properties of 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one?
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one has a molecular weight of 498.80 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one is sourced from PubChem (CID 11191223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).