ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C19H17FN2O3 — CID 20940938

IUPACethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2cccc(F)c2)c2nc(C)ccc2c1=O
InChIInChI=1S/C19H17FN2O3/c1-3-25-19(24)16-11-22(10-13-5-4-6-14(20)9-13)18-15(17(16)23)8-7-12(2)21-18/h4-9,11H,3,10H2,1-2H3
InChIKeySYCSNPVZFSDJOE-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.07
Rot. Bonds4

About ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 20940938) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID20940938
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Nameethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2cccc(F)c2)c2nc(C)ccc2c1=O
InChIInChI=1S/C19H17FN2O3/c1-3-25-19(24)16-11-22(10-13-5-4-6-14(20)9-13)18-15(17(16)23)8-7-12(2)21-18/h4-9,11H,3,10H2,1-2H3
InChIKeySYCSNPVZFSDJOE-UHFFFAOYSA-N
XLogP3.07
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-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 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 20940938) is ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(Cc2cccc(F)c2)c2nc(C)ccc2c1=O.
What is the InChIKey of ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is SYCSNPVZFSDJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-3-25-19(24)16-11-22(10-13-5-4-6-14(20)9-13)18-15(17(16)23)8-7-12(2)21-18/h4-9,11H,3,10H2,1-2H3.
What are the key properties of ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 340.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 20940938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).