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

C23H19F2N3O2 — CID 10294808

IUPAC2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1cc(OCC(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C23H19F2N3O2/c1-15-12-19(30-14-20(24)25)22-18(29)13-21(27-16-8-4-2-5-9-16)28(23(22)26-15)17-10-6-3-7-11-17/h2-13,20,27H,14H2,1H3
InChIKeyRKZRSLHTWAEPAR-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.08
Rot. Bonds6

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

2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 10294808) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
PubChem CID10294808
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1cc(OCC(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C23H19F2N3O2/c1-15-12-19(30-14-20(24)25)22-18(29)13-21(27-16-8-4-2-5-9-16)28(23(22)26-15)17-10-6-3-7-11-17/h2-13,20,27H,14H2,1H3
InChIKeyRKZRSLHTWAEPAR-UHFFFAOYSA-N
XLogP5.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one (CID 10294808) is 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one is Cc1cc(OCC(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is RKZRSLHTWAEPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c1-15-12-19(30-14-20(24)25)22-18(29)13-21(27-16-8-4-2-5-9-16)28(23(22)26-15)17-10-6-3-7-11-17/h2-13,20,27H,14H2,1H3.
What are the key properties of 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 407.42 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 10294808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).