2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one

C28H20ClN3O2 — CID 20790680

IUPAC2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1cc(C(=O)c2ccc(Cl)cc2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H20ClN3O2/c1-18-16-23(27(34)19-12-14-20(29)15-13-19)31-28-26(18)24(33)17-25(30-21-8-4-2-5-9-21)32(28)22-10-6-3-7-11-22/h2-17,30H,1H3
InChIKeyYAXDACFWSIWTGV-UHFFFAOYSA-N
MW465.94 g/mol
LogP6.32
Rot. Bonds5

About 2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one

2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 20790680) has the molecular formula C28H20ClN3O2 and a molecular weight of 465.94 g/mol. Its IUPAC name is 2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one
PubChem CID20790680
Molecular FormulaC28H20ClN3O2
Molecular Weight465.94 g/mol
Exact Mass465.12
IUPAC Name2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1cc(C(=O)c2ccc(Cl)cc2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H20ClN3O2/c1-18-16-23(27(34)19-12-14-20(29)15-13-19)31-28-26(18)24(33)17-25(30-21-8-4-2-5-9-21)32(28)22-10-6-3-7-11-22/h2-17,30H,1H3
InChIKeyYAXDACFWSIWTGV-UHFFFAOYSA-N
XLogP6.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one (CID 20790680) is 2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one is Cc1cc(C(=O)c2ccc(Cl)cc2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is YAXDACFWSIWTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN3O2/c1-18-16-23(27(34)19-12-14-20(29)15-13-19)31-28-26(18)24(33)17-25(30-21-8-4-2-5-9-21)32(28)22-10-6-3-7-11-22/h2-17,30H,1H3.
What are the key properties of 2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 465.94 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).