methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride

C18H17BrClN3O2 — CID 146063450

IUPACmethyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1C.Cl
InChIInChI=1S/C18H16BrN3O2.ClH/c1-10-8-12(19)5-7-15(10)22-16-13-6-4-11(2)21-17(13)20-9-14(16)18(23)24-3;/h4-9H,1-3H3,(H,20,21,22);1H
InChIKeyOUTHKLRNFFZASB-UHFFFAOYSA-N
MW422.71 g/mol
LogP4.96
Rot. Bonds3

About methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride

methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (PubChem CID 146063450) has the molecular formula C18H17BrClN3O2 and a molecular weight of 422.71 g/mol. Its IUPAC name is methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
PubChem CID146063450
Molecular FormulaC18H17BrClN3O2
Molecular Weight422.71 g/mol
Exact Mass421.02
IUPAC Namemethyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1C.Cl
InChIInChI=1S/C18H16BrN3O2.ClH/c1-10-8-12(19)5-7-15(10)22-16-13-6-4-11(2)21-17(13)20-9-14(16)18(23)24-3;/h4-9H,1-3H3,(H,20,21,22);1H
InChIKeyOUTHKLRNFFZASB-UHFFFAOYSA-N
XLogP4.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 54.96
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
methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132016
propan-2-yl 4-(2,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132129
methyl 4-(2-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132018
methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132045
methyl 4-(3-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132023
methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132008
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 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132011
ethyl 4-(2,4-dimethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258401

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (CID 146063450) is methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1C.Cl.
What is the InChIKey of methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The InChIKey is OUTHKLRNFFZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2.ClH/c1-10-8-12(19)5-7-15(10)22-16-13-6-4-11(2)21-17(13)20-9-14(16)18(23)24-3;/h4-9H,1-3H3,(H,20,21,22);1H.
What are the key properties of methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride has a molecular weight of 422.71 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 146063450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).