methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate

C20H20N2O3 — CID 169487758

IUPACmethyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
SMILESCCOc1ccc2nc(C)cc(Nc3ccccc3C(=O)OC)c2c1
InChIInChI=1S/C20H20N2O3/c1-4-25-14-9-10-18-16(12-14)19(11-13(2)21-18)22-17-8-6-5-7-15(17)20(23)24-3/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyYVWOBQQSKIYFTQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.47
Rot. Bonds5

About methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate

methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate (PubChem CID 169487758) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
PubChem CID169487758
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namemethyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
SMILESCCOc1ccc2nc(C)cc(Nc3ccccc3C(=O)OC)c2c1
InChIInChI=1S/C20H20N2O3/c1-4-25-14-9-10-18-16(12-14)19(11-13(2)21-18)22-17-8-6-5-7-15(17)20(23)24-3/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyYVWOBQQSKIYFTQ-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

methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate
CID 25022707
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate
CID 53002401
methyl 2-[[4-(4-ethoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930880
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
CID 169487796
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine
CID 169487705
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate?
The IUPAC name of methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate (CID 169487758) is methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate is CCOc1ccc2nc(C)cc(Nc3ccccc3C(=O)OC)c2c1.
What is the InChIKey of methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate?
The InChIKey is YVWOBQQSKIYFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-25-14-9-10-18-16(12-14)19(11-13(2)21-18)22-17-8-6-5-7-15(17)20(23)24-3/h5-12H,4H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate?
methyl 2-[(6-ethoxy-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 methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate is sourced from PubChem (CID 169487758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).