ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate

C19H25N3O3 — CID 702832

IUPACethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cccc2c1NCCN1CCOCC1
InChIInChI=1S/C19H25N3O3/c1-3-25-19(23)16-13-21-17-14(2)5-4-6-15(17)18(16)20-7-8-22-9-11-24-12-10-22/h4-6,13H,3,7-12H2,1-2H3,(H,20,21)
InChIKeyOOGBYRIVHDJYAK-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.46
Rot. Bonds6

About ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate

ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (PubChem CID 702832) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
PubChem CID702832
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nameethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cccc2c1NCCN1CCOCC1
InChIInChI=1S/C19H25N3O3/c1-3-25-19(23)16-13-21-17-14(2)5-4-6-15(17)18(16)20-7-8-22-9-11-24-12-10-22/h4-6,13H,3,7-12H2,1-2H3,(H,20,21)
InChIKeyOOGBYRIVHDJYAK-UHFFFAOYSA-N
XLogP2.46
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (CID 702832) is ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cccc2c1NCCN1CCOCC1.
What is the InChIKey of ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The InChIKey is OOGBYRIVHDJYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-25-19(23)16-13-21-17-14(2)5-4-6-15(17)18(16)20-7-8-22-9-11-24-12-10-22/h4-6,13H,3,7-12H2,1-2H3,(H,20,21).
What are the key properties of ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 702832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).