[6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate

C18H23N3O3 — CID 118519042

IUPAC[6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate
SMILESCC(c1cc(OC(=O)N2CCOCC2)c2ncccc2c1)N(C)C
InChIInChI=1S/C18H23N3O3/c1-13(20(2)3)15-11-14-5-4-6-19-17(14)16(12-15)24-18(22)21-7-9-23-10-8-21/h4-6,11-13H,7-10H2,1-3H3
InChIKeyMJIJBHUCUCXWPF-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.69
Rot. Bonds3

About [6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate

[6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate (PubChem CID 118519042) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate
PubChem CID118519042
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate
SMILESCC(c1cc(OC(=O)N2CCOCC2)c2ncccc2c1)N(C)C
InChIInChI=1S/C18H23N3O3/c1-13(20(2)3)15-11-14-5-4-6-19-17(14)16(12-15)24-18(22)21-7-9-23-10-8-21/h4-6,11-13H,7-10H2,1-3H3
InChIKeyMJIJBHUCUCXWPF-UHFFFAOYSA-N
XLogP2.69
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate?
The IUPAC name of [6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate (CID 118519042) is [6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate.
What is the SMILES notation for [6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate?
The canonical SMILES for [6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate is CC(c1cc(OC(=O)N2CCOCC2)c2ncccc2c1)N(C)C.
What is the InChIKey of [6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate?
The InChIKey is MJIJBHUCUCXWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(20(2)3)15-11-14-5-4-6-19-17(14)16(12-15)24-18(22)21-7-9-23-10-8-21/h4-6,11-13H,7-10H2,1-3H3.
What are the key properties of [6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate?
[6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(dimethylamino)ethyl]quinolin-8-yl] morpholine-4-carboxylate is sourced from PubChem (CID 118519042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).