ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate

C20H29N3O3 — CID 45488575

IUPACethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1NCCN(CC)CC
InChIInChI=1S/C20H29N3O3/c1-5-23(6-2)12-11-21-19-16-13-15(25-7-3)9-10-18(16)22-14-17(19)20(24)26-8-4/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,21,22)
InChIKeyVGLCXOLJLKCSDE-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.56
Rot. Bonds10

About ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate

ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate (PubChem CID 45488575) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate
PubChem CID45488575
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nameethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1NCCN(CC)CC
InChIInChI=1S/C20H29N3O3/c1-5-23(6-2)12-11-21-19-16-13-15(25-7-3)9-10-18(16)22-14-17(19)20(24)26-8-4/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,21,22)
InChIKeyVGLCXOLJLKCSDE-UHFFFAOYSA-N
XLogP3.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate (CID 45488575) is ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)cc2c1NCCN(CC)CC.
What is the InChIKey of ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate?
The InChIKey is VGLCXOLJLKCSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-5-23(6-2)12-11-21-19-16-13-15(25-7-3)9-10-18(16)22-14-17(19)20(24)26-8-4/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,21,22).
What are the key properties of ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate?
ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(diethylamino)ethylamino]-6-ethoxyquinoline-3-carboxylate is sourced from PubChem (CID 45488575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).