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

C18H14F3N3O2 — CID 53132011

IUPACmethyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O2/c1-10-3-8-13-15(14(17(25)26-2)9-22-16(13)23-10)24-12-6-4-11(5-7-12)18(19,20)21/h3-9H,1-2H3,(H,22,23,24)
InChIKeyXGHCJRINSZXDML-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.49
Rot. Bonds3

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

methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate (PubChem CID 53132011) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate
PubChem CID53132011
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Namemethyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O2/c1-10-3-8-13-15(14(17(25)26-2)9-22-16(13)23-10)24-12-6-4-11(5-7-12)18(19,20)21/h3-9H,1-2H3,(H,22,23,24)
InChIKeyXGHCJRINSZXDML-UHFFFAOYSA-N
XLogP4.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132036
N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064228
methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132016
methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132058
methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132008
methyl 4-(3-chloro-4-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063412
propan-2-yl 7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063577
propan-2-yl 4-(4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132109
methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063594
methyl 4-(2-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132018
propan-2-yl 4-(4-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063615

Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate (CID 53132011) is methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate is COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate?
The InChIKey is XGHCJRINSZXDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-10-3-8-13-15(14(17(25)26-2)9-22-16(13)23-10)24-12-6-4-11(5-7-12)18(19,20)21/h3-9H,1-2H3,(H,22,23,24).
What are the key properties of methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate?
methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate has a molecular weight of 361.32 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 53132011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).