2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one

C24H23N3O2 — CID 20790507

IUPAC2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one
SMILESCC(C)(C)Oc1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12
InChIInChI=1S/C24H23N3O2/c1-24(2,3)29-21-16-25-15-19-20(28)14-22(26-17-10-6-4-7-11-17)27(23(19)21)18-12-8-5-9-13-18/h4-16,26H,1-3H3
InChIKeyLNIZYUFMTMIMDV-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.31
Rot. Bonds4

About 2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one

2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 20790507) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one
PubChem CID20790507
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one
SMILESCC(C)(C)Oc1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12
InChIInChI=1S/C24H23N3O2/c1-24(2,3)29-21-16-25-15-19-20(28)14-22(26-17-10-6-4-7-11-17)27(23(19)21)18-12-8-5-9-13-18/h4-16,26H,1-3H3
InChIKeyLNIZYUFMTMIMDV-UHFFFAOYSA-N
XLogP5.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one (CID 20790507) is 2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one is CC(C)(C)Oc1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12.
What is the InChIKey of 2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is LNIZYUFMTMIMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-24(2,3)29-21-16-25-15-19-20(28)14-22(26-17-10-6-4-7-11-17)27(23(19)21)18-12-8-5-9-13-18/h4-16,26H,1-3H3.
What are the key properties of 2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 385.47 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).