2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one

C28H23N3O3 — CID 20790696

IUPAC2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
SMILESCOc1ccc(OCc2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)cc1
InChIInChI=1S/C28H23N3O3/c1-33-23-12-14-24(15-13-23)34-19-21-16-26-25(18-29-21)27(32)17-28(30-20-8-4-2-5-9-20)31(26)22-10-6-3-7-11-22/h2-18,30H,19H2,1H3
InChIKeyIKQHMTDFUFPFGQ-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.72
Rot. Bonds7

About 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one

2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 20790696) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
PubChem CID20790696
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Name2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
SMILESCOc1ccc(OCc2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)cc1
InChIInChI=1S/C28H23N3O3/c1-33-23-12-14-24(15-13-23)34-19-21-16-26-25(18-29-21)27(32)17-28(30-20-8-4-2-5-9-20)31(26)22-10-6-3-7-11-22/h2-18,30H,19H2,1H3
InChIKeyIKQHMTDFUFPFGQ-UHFFFAOYSA-N
XLogP5.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one (CID 20790696) is 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one is COc1ccc(OCc2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)cc1.
What is the InChIKey of 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is IKQHMTDFUFPFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c1-33-23-12-14-24(15-13-23)34-19-21-16-26-25(18-29-21)27(32)17-28(30-20-8-4-2-5-9-20)31(26)22-10-6-3-7-11-22/h2-18,30H,19H2,1H3.
What are the key properties of 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 449.51 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).