ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate

C21H21BrN2O4 — CID 151694094

IUPACethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)c(Br)cc2c1NCc1ccc(OC)cc1
InChIInChI=1S/C21H21BrN2O4/c1-4-28-21(25)16-12-23-18-10-19(27-3)17(22)9-15(18)20(16)24-11-13-5-7-14(26-2)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,23,24)
InChIKeyRDELTPAZIXJNNC-UHFFFAOYSA-N
MW445.31 g/mol
LogP4.80
Rot. Bonds7

About ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate

ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate (PubChem CID 151694094) has the molecular formula C21H21BrN2O4 and a molecular weight of 445.31 g/mol. Its IUPAC name is ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
PubChem CID151694094
Molecular FormulaC21H21BrN2O4
Molecular Weight445.31 g/mol
Exact Mass444.07
IUPAC Nameethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)c(Br)cc2c1NCc1ccc(OC)cc1
InChIInChI=1S/C21H21BrN2O4/c1-4-28-21(25)16-12-23-18-10-19(27-3)17(22)9-15(18)20(16)24-11-13-5-7-14(26-2)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,23,24)
InChIKeyRDELTPAZIXJNNC-UHFFFAOYSA-N
XLogP4.80
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 86692233
ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
CID 107623171
ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002
ethyl 6-cyano-4-[[3-(iodomethyl)-4-methoxyphenyl]methylamino]quinoline-3-carboxylate
CID 89360155
ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
CID 23903151
ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
ethyl 2-[(4-fluorophenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate
CID 178100051
ethyl 6-fluoro-4-[(4-methylsulfinylphenyl)methylamino]quinoline-3-carboxylate
CID 133368806
ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 143010924
ethyl 2-[(4-methoxyphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3919771

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate (CID 151694094) is ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OC)c(Br)cc2c1NCc1ccc(OC)cc1.
What is the InChIKey of ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The InChIKey is RDELTPAZIXJNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O4/c1-4-28-21(25)16-12-23-18-10-19(27-3)17(22)9-15(18)20(16)24-11-13-5-7-14(26-2)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,23,24).
What are the key properties of ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate?
ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate has a molecular weight of 445.31 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate is sourced from PubChem (CID 151694094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).