ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate

C19H25N3O4 — CID 1157566

IUPACethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NCCN1CCOCC1
InChIInChI=1S/C19H25N3O4/c1-3-26-19(23)16-13-21-17-5-4-14(24-2)12-15(17)18(16)20-6-7-22-8-10-25-11-9-22/h4-5,12-13H,3,6-11H2,1-2H3,(H,20,21)
InChIKeyKDTSDCRJCCLZQG-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.16
Rot. Bonds7

About ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate

ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (PubChem CID 1157566) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
PubChem CID1157566
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1NCCN1CCOCC1
InChIInChI=1S/C19H25N3O4/c1-3-26-19(23)16-13-21-17-5-4-14(24-2)12-15(17)18(16)20-6-7-22-8-10-25-11-9-22/h4-5,12-13H,3,6-11H2,1-2H3,(H,20,21)
InChIKeyKDTSDCRJCCLZQG-UHFFFAOYSA-N
XLogP2.16
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (CID 1157566) is ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1NCCN1CCOCC1.
What is the InChIKey of ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The InChIKey is KDTSDCRJCCLZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-26-19(23)16-13-21-17-5-4-14(24-2)12-15(17)18(16)20-6-7-22-8-10-25-11-9-22/h4-5,12-13H,3,6-11H2,1-2H3,(H,20,21).
What are the key properties of ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 1157566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).