ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate

C20H20N2O3 — CID 35208600

IUPACethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cc(C)nc2c(OC)cccc12
InChIInChI=1S/C20H20N2O3/c1-4-25-20(23)15-8-5-6-10-16(15)22-17-12-13(2)21-19-14(17)9-7-11-18(19)24-3/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyVCYSJDZOXODLTG-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.47
Rot. Bonds5

About ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate

ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate (PubChem CID 35208600) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
PubChem CID35208600
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cc(C)nc2c(OC)cccc12
InChIInChI=1S/C20H20N2O3/c1-4-25-20(23)15-8-5-6-10-16(15)22-17-12-13(2)21-19-14(17)9-7-11-18(19)24-3/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyVCYSJDZOXODLTG-UHFFFAOYSA-N
XLogP4.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 715750
4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 14052838
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930710
ethyl 2-[[2-(4-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112930767
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 2-[[4-(3-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930597

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate?
The IUPAC name of ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate (CID 35208600) is ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate?
The canonical SMILES for ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate is CCOC(=O)c1ccccc1Nc1cc(C)nc2c(OC)cccc12.
What is the InChIKey of ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate?
The InChIKey is VCYSJDZOXODLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-25-20(23)15-8-5-6-10-16(15)22-17-12-13(2)21-19-14(17)9-7-11-18(19)24-3/h5-12H,4H2,1-3H3,(H,21,22).
What are the key properties of ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate?
ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate has a molecular weight of 336.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate is sourced from PubChem (CID 35208600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).