[6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate

C17H23N3O2 — CID 118519041

IUPAC[6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cc(C(C)N(C)C)cc2cccnc12
InChIInChI=1S/C17H23N3O2/c1-6-20(5)17(21)22-15-11-14(12(2)19(3)4)10-13-8-7-9-18-16(13)15/h7-12H,6H2,1-5H3
InChIKeyGLDGMAVWKKOQGY-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.31
Rot. Bonds4

About [6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate

[6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate (PubChem CID 118519041) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate
PubChem CID118519041
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cc(C(C)N(C)C)cc2cccnc12
InChIInChI=1S/C17H23N3O2/c1-6-20(5)17(21)22-15-11-14(12(2)19(3)4)10-13-8-7-9-18-16(13)15/h7-12H,6H2,1-5H3
InChIKeyGLDGMAVWKKOQGY-UHFFFAOYSA-N
XLogP3.31
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate (CID 118519041) is [6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1cc(C(C)N(C)C)cc2cccnc12.
What is the InChIKey of [6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate?
The InChIKey is GLDGMAVWKKOQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-6-20(5)17(21)22-15-11-14(12(2)19(3)4)10-13-8-7-9-18-16(13)15/h7-12H,6H2,1-5H3.
What are the key properties of [6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate?
[6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate has a molecular weight of 301.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(dimethylamino)ethyl]quinolin-8-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 118519041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).