4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one

C18H18FN3O2 — CID 139373794

IUPAC4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCNCc1c(F)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C18H18FN3O2/c1-20-8-14-16(19)6-11(7-17(14)24-3)15-10-22(2)18(23)13-9-21-5-4-12(13)15/h4-7,9-10,20H,8H2,1-3H3
InChIKeySLVCPBDJYFLDPL-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.47
Rot. Bonds4

About 4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one

4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one (PubChem CID 139373794) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
PubChem CID139373794
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCNCc1c(F)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C18H18FN3O2/c1-20-8-14-16(19)6-11(7-17(14)24-3)15-10-22(2)18(23)13-9-21-5-4-12(13)15/h4-7,9-10,20H,8H2,1-3H3
InChIKeySLVCPBDJYFLDPL-UHFFFAOYSA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one (CID 139373794) is 4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one is CNCc1c(F)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC.
What is the InChIKey of 4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is SLVCPBDJYFLDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-20-8-14-16(19)6-11(7-17(14)24-3)15-10-22(2)18(23)13-9-21-5-4-12(13)15/h4-7,9-10,20H,8H2,1-3H3.
What are the key properties of 4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 327.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 139373794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).