ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate

C22H24N2O4 — CID 12005319

IUPACethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1ccccc1OC
InChIInChI=1S/C22H24N2O4/c1-4-27-16-10-11-19-17(12-16)21(18(14-23-19)22(25)28-5-2)24-13-15-8-6-7-9-20(15)26-3/h6-12,14H,4-5,13H2,1-3H3,(H,23,24)
InChIKeyLJPTUVAFNJGZRI-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.43
Rot. Bonds8

About ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate

ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate (PubChem CID 12005319) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
PubChem CID12005319
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Nameethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1ccccc1OC
InChIInChI=1S/C22H24N2O4/c1-4-27-16-10-11-19-17(12-16)21(18(14-23-19)22(25)28-5-2)24-13-15-8-6-7-9-20(15)26-3/h6-12,14H,4-5,13H2,1-3H3,(H,23,24)
InChIKeyLJPTUVAFNJGZRI-UHFFFAOYSA-N
XLogP4.43
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate (CID 12005319) is ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1ccccc1OC.
What is the InChIKey of ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The InChIKey is LJPTUVAFNJGZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-27-16-10-11-19-17(12-16)21(18(14-23-19)22(25)28-5-2)24-13-15-8-6-7-9-20(15)26-3/h6-12,14H,4-5,13H2,1-3H3,(H,23,24).
What are the key properties of ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate?
ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate is sourced from PubChem (CID 12005319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).