[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate

C21H20N2O4 — CID 2479164

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C21H20N2O4/c1-14-11-18(17-5-3-4-6-19(17)23-14)21(25)27-13-20(24)22-12-15-7-9-16(26-2)10-8-15/h3-11H,12-13H2,1-2H3,(H,22,24)
InChIKeyODORDXWAFLGTGH-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.03
Rot. Bonds6

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2479164) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID2479164
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C21H20N2O4/c1-14-11-18(17-5-3-4-6-19(17)23-14)21(25)27-13-20(24)22-12-15-7-9-16(26-2)10-8-15/h3-11H,12-13H2,1-2H3,(H,22,24)
InChIKeyODORDXWAFLGTGH-UHFFFAOYSA-N
XLogP3.03
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 2479164) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is COc1ccc(CNC(=O)COC(=O)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is ODORDXWAFLGTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14-11-18(17-5-3-4-6-19(17)23-14)21(25)27-13-20(24)22-12-15-7-9-16(26-2)10-8-15/h3-11H,12-13H2,1-2H3,(H,22,24).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2479164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).