ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

C19H18FN3O2 — CID 53132072

IUPACethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(F)c1
InChIInChI=1S/C19H18FN3O2/c1-4-25-19(24)15-10-21-18-14(8-6-12(3)22-18)17(15)23-13-7-5-11(2)16(20)9-13/h5-10H,4H2,1-3H3,(H,21,22,23)
InChIKeyFUAWFALJKPTDND-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.31
Rot. Bonds4

About ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 53132072) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID53132072
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Nameethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(F)c1
InChIInChI=1S/C19H18FN3O2/c1-4-25-19(24)15-10-21-18-14(8-6-12(3)22-18)17(15)23-13-7-5-11(2)16(20)9-13/h5-10H,4H2,1-3H3,(H,21,22,23)
InChIKeyFUAWFALJKPTDND-UHFFFAOYSA-N
XLogP4.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 53132072) is ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(F)c1.
What is the InChIKey of ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is FUAWFALJKPTDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-4-25-19(24)15-10-21-18-14(8-6-12(3)22-18)17(15)23-13-7-5-11(2)16(20)9-13/h5-10H,4H2,1-3H3,(H,21,22,23).
What are the key properties of ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 339.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 53132072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).