methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate

C16H19N3O4 — CID 69372859

IUPACmethyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2nc1N=CN(C)C
InChIInChI=1S/C16H19N3O4/c1-19(2)9-17-15-11(16(20)23-5)6-10-7-13(21-3)14(22-4)8-12(10)18-15/h6-9H,1-5H3
InChIKeyFJKYQCVZJHEOOR-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.26
Rot. Bonds5

About methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate

methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate (PubChem CID 69372859) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate
PubChem CID69372859
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Namemethyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2nc1N=CN(C)C
InChIInChI=1S/C16H19N3O4/c1-19(2)9-17-15-11(16(20)23-5)6-10-7-13(21-3)14(22-4)8-12(10)18-15/h6-9H,1-5H3
InChIKeyFJKYQCVZJHEOOR-UHFFFAOYSA-N
XLogP2.26
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 7-(2-chloroethoxy)-2-(dimethylaminomethylideneamino)-6-methoxyquinoline-3-carboxylate
CID 69372875
methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate
CID 163275550
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849
methyl 5-bromo-2-[(E)-dimethylaminomethylideneamino]pyridine-3-carboxylate
CID 118225142
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
methyl 2-(dimethylaminomethylideneamino)-4-methoxybenzoate
CID 163274673
methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate
CID 5329284
methyl 2,5-dichloro-3-(dimethylaminomethylideneamino)benzoate
CID 91733961
methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
CID 119054850
methyl 2-(dimethylaminomethylideneamino)-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzoate
CID 101199441
methyl 4-chloro-2-(dimethylaminomethylideneamino)pyridine-3-carboxylate
CID 177042843
methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate
CID 18738662

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate?
The IUPAC name of methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate (CID 69372859) is methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate is COC(=O)c1cc2cc(OC)c(OC)cc2nc1N=CN(C)C.
What is the InChIKey of methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate?
The InChIKey is FJKYQCVZJHEOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-19(2)9-17-15-11(16(20)23-5)6-10-7-13(21-3)14(22-4)8-12(10)18-15/h6-9H,1-5H3.
What are the key properties of methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate?
methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate is sourced from PubChem (CID 69372859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).