methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

C17H14BrN3O2 — CID 53132036

IUPACmethyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O2/c1-10-3-8-13-15(21-12-6-4-11(18)5-7-12)14(17(22)23-2)9-19-16(13)20-10/h3-9H,1-2H3,(H,19,20,21)
InChIKeyNTZJSHZUYAXCFA-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.23
Rot. Bonds3

About methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 53132036) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID53132036
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Namemethyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O2/c1-10-3-8-13-15(21-12-6-4-11(18)5-7-12)14(17(22)23-2)9-19-16(13)20-10/h3-9H,1-2H3,(H,19,20,21)
InChIKeyNTZJSHZUYAXCFA-UHFFFAOYSA-N
XLogP4.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132016
methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132011
methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063450
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
methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
propan-2-yl 4-(4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132109
propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063594
methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132058
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
methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132045

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 53132036) is methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1.
What is the InChIKey of methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is NTZJSHZUYAXCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-10-3-8-13-15(21-12-6-4-11(18)5-7-12)14(17(22)23-2)9-19-16(13)20-10/h3-9H,1-2H3,(H,19,20,21).
What are the key properties of methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 372.22 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 53132036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).