N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide

C18H19N3O2S — CID 171353845

IUPACN-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Oc2cccs2)nc2ccccc12
InChIInChI=1S/C18H19N3O2S/c1-21(2)10-9-19-18(22)14-12-16(23-17-8-5-11-24-17)20-15-7-4-3-6-13(14)15/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyAJEQGCOWBWIXCI-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide (PubChem CID 171353845) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide
PubChem CID171353845
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Oc2cccs2)nc2ccccc12
InChIInChI=1S/C18H19N3O2S/c1-21(2)10-9-19-18(22)14-12-16(23-17-8-5-11-24-17)20-15-7-4-3-6-13(14)15/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyAJEQGCOWBWIXCI-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide (CID 171353845) is N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide is CN(C)CCNC(=O)c1cc(Oc2cccs2)nc2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide?
The InChIKey is AJEQGCOWBWIXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21(2)10-9-19-18(22)14-12-16(23-17-8-5-11-24-17)20-15-7-4-3-6-13(14)15/h3-8,11-12H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide is sourced from PubChem (CID 171353845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).