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

C19H19N3O2 — CID 53132016

IUPACmethyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H19N3O2/c1-11-5-7-14(9-12(11)2)22-17-15-8-6-13(3)21-18(15)20-10-16(17)19(23)24-4/h5-10H,1-4H3,(H,20,21,22)
InChIKeyVCZFKYBZLQQHOI-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.09
Rot. Bonds3

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

methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 53132016) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID53132016
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namemethyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(C)c1
InChIInChI=1S/C19H19N3O2/c1-11-5-7-14(9-12(11)2)22-17-15-8-6-13(3)21-18(15)20-10-16(17)19(23)24-4/h5-10H,1-4H3,(H,20,21,22)
InChIKeyVCZFKYBZLQQHOI-UHFFFAOYSA-N
XLogP4.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836411
methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132036
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
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
ethyl 4-(3-chloro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258432
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132058
ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063486
methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063450
methyl 4-(2-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132018

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 53132016) is methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(C)c1.
What is the InChIKey of methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is VCZFKYBZLQQHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-5-7-14(9-12(11)2)22-17-15-8-6-13(3)21-18(15)20-10-16(17)19(23)24-4/h5-10H,1-4H3,(H,20,21,22).
What are the key properties of methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 53132016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).