2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one

C23H19F2N3O2 — CID 10201429

IUPAC2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(OCC(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C23H19F2N3O2/c1-15-12-18-22(23(26-15)30-14-20(24)25)19(29)13-21(27-16-8-4-2-5-9-16)28(18)17-10-6-3-7-11-17/h2-13,20,27H,14H2,1H3
InChIKeySLPKEEQAUGMTCT-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.08
Rot. Bonds6

About 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one

2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 10201429) 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-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
PubChem CID10201429
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(OCC(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C23H19F2N3O2/c1-15-12-18-22(23(26-15)30-14-20(24)25)19(29)13-21(27-16-8-4-2-5-9-16)28(18)17-10-6-3-7-11-17/h2-13,20,27H,14H2,1H3
InChIKeySLPKEEQAUGMTCT-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-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one (CID 10201429) is 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one is Cc1cc2c(c(OCC(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is SLPKEEQAUGMTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c1-15-12-18-22(23(26-15)30-14-20(24)25)19(29)13-21(27-16-8-4-2-5-9-16)28(18)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-1,6-naphthyridin-4-one?
2-anilino-5-(2,2-difluoroethoxy)-7-methyl-1-phenyl-1,6-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-1,6-naphthyridin-4-one is sourced from PubChem (CID 10201429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).