2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one

C27H21N3O2 — CID 20790921

IUPAC2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2c(COc3ccccc3)cncc12
InChIInChI=1S/C27H21N3O2/c31-25-16-26(29-21-10-4-1-5-11-21)30(22-12-6-2-7-13-22)27-20(17-28-18-24(25)27)19-32-23-14-8-3-9-15-23/h1-18,29H,19H2
InChIKeyOMENBBXOPCIJEF-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.71
Rot. Bonds6

About 2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one

2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 20790921) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one
PubChem CID20790921
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC Name2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2c(COc3ccccc3)cncc12
InChIInChI=1S/C27H21N3O2/c31-25-16-26(29-21-10-4-1-5-11-21)30(22-12-6-2-7-13-22)27-20(17-28-18-24(25)27)19-32-23-14-8-3-9-15-23/h1-18,29H,19H2
InChIKeyOMENBBXOPCIJEF-UHFFFAOYSA-N
XLogP5.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one (CID 20790921) is 2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2c(COc3ccccc3)cncc12.
What is the InChIKey of 2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is OMENBBXOPCIJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2/c31-25-16-26(29-21-10-4-1-5-11-21)30(22-12-6-2-7-13-22)27-20(17-28-18-24(25)27)19-32-23-14-8-3-9-15-23/h1-18,29H,19H2.
What are the key properties of 2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 419.48 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).