methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate

C20H20N2O3 — CID 110435325

IUPACmethyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1Nc1ccc(OC)cc1
InChIInChI=1S/C20H20N2O3/c1-13-17(12-19(23)25-3)20(16-6-4-5-7-18(16)21-13)22-14-8-10-15(24-2)11-9-14/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyAHZGMGJHTRWFOL-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.01
Rot. Bonds5

About methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate

methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate (PubChem CID 110435325) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
PubChem CID110435325
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namemethyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1Nc1ccc(OC)cc1
InChIInChI=1S/C20H20N2O3/c1-13-17(12-19(23)25-3)20(16-6-4-5-7-18(16)21-13)22-14-8-10-15(24-2)11-9-14/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyAHZGMGJHTRWFOL-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid
CID 110435384
2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid
CID 110435391
methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
CID 110432509
2-[4-[4-(dimethylamino)anilino]-2-methylquinolin-3-yl]acetic acid
CID 110435373
methyl 2-[4-(butylamino)-2-methylquinolin-3-yl]acetate
CID 110432495
methyl 2-[2-methyl-4-[(1-phenylcyclopropyl)amino]quinolin-3-yl]acetate
CID 110433162
methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate
CID 110432531
methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
CID 110435937
methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate?
The IUPAC name of methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate (CID 110435325) is methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate is COC(=O)Cc1c(C)nc2ccccc2c1Nc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate?
The InChIKey is AHZGMGJHTRWFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-17(12-19(23)25-3)20(16-6-4-5-7-18(16)21-13)22-14-8-10-15(24-2)11-9-14/h4-11H,12H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate?
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate has a molecular weight of 336.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate is sourced from PubChem (CID 110435325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).