3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one

C18H17BrFN3O — CID 158024956

IUPAC3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(C)c(F)cc2Br)cc2cnc(NC)cc21
InChIInChI=1S/C18H17BrFN3O/c1-4-23-16-8-17(21-3)22-9-11(16)6-13(18(23)24)12-5-10(2)15(20)7-14(12)19/h5-9H,4H2,1-3H3,(H,21,22)
InChIKeyFGMMDLFNIFQJKR-UHFFFAOYSA-N
MW390.26 g/mol
LogP4.34
Rot. Bonds3

About 3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one

3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one (PubChem CID 158024956) has the molecular formula C18H17BrFN3O and a molecular weight of 390.26 g/mol. Its IUPAC name is 3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
PubChem CID158024956
Molecular FormulaC18H17BrFN3O
Molecular Weight390.26 g/mol
Exact Mass389.05
IUPAC Name3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(C)c(F)cc2Br)cc2cnc(NC)cc21
InChIInChI=1S/C18H17BrFN3O/c1-4-23-16-8-17(21-3)22-9-11(16)6-13(18(23)24)12-5-10(2)15(20)7-14(12)19/h5-9H,4H2,1-3H3,(H,21,22)
InChIKeyFGMMDLFNIFQJKR-UHFFFAOYSA-N
XLogP4.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one (CID 158024956) is 3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2cc(C)c(F)cc2Br)cc2cnc(NC)cc21.
What is the InChIKey of 3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one?
The InChIKey is FGMMDLFNIFQJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O/c1-4-23-16-8-17(21-3)22-9-11(16)6-13(18(23)24)12-5-10(2)15(20)7-14(12)19/h5-9H,4H2,1-3H3,(H,21,22).
What are the key properties of 3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one?
3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one has a molecular weight of 390.26 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluoro-5-methylphenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 158024956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).