ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate

C19H18N2O4 — CID 164899920

IUPACethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc3cc(OC)c(O)cc3n2)cc1
InChIInChI=1S/C19H18N2O4/c1-3-25-19(23)12-4-7-14(8-5-12)20-18-9-6-13-10-17(24-2)16(22)11-15(13)21-18/h4-11,22H,3H2,1-2H3,(H,20,21)
InChIKeyVMVYEYMOEWYGDK-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.87
Rot. Bonds5

About ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate

ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate (PubChem CID 164899920) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate
PubChem CID164899920
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc3cc(OC)c(O)cc3n2)cc1
InChIInChI=1S/C19H18N2O4/c1-3-25-19(23)12-4-7-14(8-5-12)20-18-9-6-13-10-17(24-2)16(22)11-15(13)21-18/h4-11,22H,3H2,1-2H3,(H,20,21)
InChIKeyVMVYEYMOEWYGDK-UHFFFAOYSA-N
XLogP3.87
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-acetamido-3-[4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]phenyl]propanoate
CID 164899928
ethyl 4-[[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 112866544
ethyl 4-[(4,5,7-trimethylquinolin-2-yl)amino]benzoate
CID 800909
ethyl 4-[(4,5,7-trimethylquinolin-2-yl)amino]benzoate;hydrochloride
CID 2919775
ethyl 4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 122281743
ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate
CID 53221031
ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129362
ethyl 4-[[2-methyl-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoate
CID 112877726
ethyl 4-[[4-(4-methylanilino)pyrimidin-2-yl]amino]benzoate
CID 112901962
ethyl 4-[[6-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112860170
ethyl 4-[[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 46283329
ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate
CID 91022354

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate (CID 164899920) is ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2ccc3cc(OC)c(O)cc3n2)cc1.
What is the InChIKey of ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate?
The InChIKey is VMVYEYMOEWYGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-25-19(23)12-4-7-14(8-5-12)20-18-9-6-13-10-17(24-2)16(22)11-15(13)21-18/h4-11,22H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate?
ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate is sourced from PubChem (CID 164899920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).