6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one

C18H19F2N3O3 — CID 86301153

IUPAC6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(N)cc3C(C)(C)C2=O)c1F
InChIInChI=1S/C18H19F2N3O3/c1-18(2)10-5-13(21)22-7-9(10)8-23(17(18)24)16-14(19)11(25-3)6-12(26-4)15(16)20/h5-7H,8H2,1-4H3,(H2,21,22)
InChIKeyIIKNIYJEWHTYSL-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.78
Rot. Bonds3

About 6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one

6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one (PubChem CID 86301153) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one
PubChem CID86301153
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(N)cc3C(C)(C)C2=O)c1F
InChIInChI=1S/C18H19F2N3O3/c1-18(2)10-5-13(21)22-7-9(10)8-23(17(18)24)16-14(19)11(25-3)6-12(26-4)15(16)20/h5-7H,8H2,1-4H3,(H2,21,22)
InChIKeyIIKNIYJEWHTYSL-UHFFFAOYSA-N
XLogP2.78
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one?
The IUPAC name of 6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one (CID 86301153) is 6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one.
What is the SMILES notation for 6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one?
The canonical SMILES for 6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(N)cc3C(C)(C)C2=O)c1F.
What is the InChIKey of 6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one?
The InChIKey is IIKNIYJEWHTYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-18(2)10-5-13(21)22-7-9(10)8-23(17(18)24)16-14(19)11(25-3)6-12(26-4)15(16)20/h5-7H,8H2,1-4H3,(H2,21,22).
What are the key properties of 6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one?
6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one has a molecular weight of 363.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2,6-difluoro-3,5-dimethoxyphenyl)-4,4-dimethyl-1H-2,7-naphthyridin-3-one is sourced from PubChem (CID 86301153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).