methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate

C22H24N2O5 — CID 25022707

IUPACmethyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate
SMILESCCOc1ccc2nc(C)cc(Nc3cc(OC)c(OC)cc3C(=O)OC)c2c1
InChIInChI=1S/C22H24N2O5/c1-6-29-14-7-8-17-15(10-14)18(9-13(2)23-17)24-19-12-21(27-4)20(26-3)11-16(19)22(25)28-5/h7-12H,6H2,1-5H3,(H,23,24)
InChIKeyFRNAOGZMWYOUFR-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.49
Rot. Bonds7

About methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate

methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate (PubChem CID 25022707) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate
PubChem CID25022707
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Namemethyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate
SMILESCCOc1ccc2nc(C)cc(Nc3cc(OC)c(OC)cc3C(=O)OC)c2c1
InChIInChI=1S/C22H24N2O5/c1-6-29-14-7-8-17-15(10-14)18(9-13(2)23-17)24-19-12-21(27-4)20(26-3)11-16(19)22(25)28-5/h7-12H,6H2,1-5H3,(H,23,24)
InChIKeyFRNAOGZMWYOUFR-UHFFFAOYSA-N
XLogP4.49
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate with MolForge

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Related Compounds

methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
CID 169487758
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
CID 169487796
methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate
CID 53002401
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
CID 18590567
methyl 2-anilino-4,5-dimethoxybenzoate
CID 71428699
6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
CID 169487793

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate (CID 25022707) is methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate is CCOc1ccc2nc(C)cc(Nc3cc(OC)c(OC)cc3C(=O)OC)c2c1.
What is the InChIKey of methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate?
The InChIKey is FRNAOGZMWYOUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-6-29-14-7-8-17-15(10-14)18(9-13(2)23-17)24-19-12-21(27-4)20(26-3)11-16(19)22(25)28-5/h7-12H,6H2,1-5H3,(H,23,24).
What are the key properties of methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate?
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate has a molecular weight of 396.44 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 25022707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).