methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate

C18H14F3N3O3 — CID 53132058

IUPACmethyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O3/c1-10-6-7-13-15(14(17(25)26-2)9-22-16(13)23-10)24-11-4-3-5-12(8-11)27-18(19,20)21/h3-9H,1-2H3,(H,22,23,24)
InChIKeyOUIVBZAPPRAUSX-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.37
Rot. Bonds4

About methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate

methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate (PubChem CID 53132058) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
PubChem CID53132058
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Namemethyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O3/c1-10-6-7-13-15(14(17(25)26-2)9-22-16(13)23-10)24-11-4-3-5-12(8-11)27-18(19,20)21/h3-9H,1-2H3,(H,22,23,24)
InChIKeyOUIVBZAPPRAUSX-UHFFFAOYSA-N
XLogP4.37
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-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

Related Compounds

methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132008
methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132011
methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132016
propan-2-yl 7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063577
methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132036
methyl 4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132064
methyl 4-(3-chloro-4-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063412
methyl 4-(3-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132023
methyl 4-(2-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132018
propyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836368
methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132045

Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate (CID 53132058) is methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate is COC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate?
The InChIKey is OUIVBZAPPRAUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-10-6-7-13-15(14(17(25)26-2)9-22-16(13)23-10)24-11-4-3-5-12(8-11)27-18(19,20)21/h3-9H,1-2H3,(H,22,23,24).
What are the key properties of methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate?
methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate has a molecular weight of 377.32 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 53132058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).