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

C18H19N3OS — CID 2351889

IUPACN-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H19N3OS/c1-21(2)10-9-19-18(22)14-12-16(17-8-5-11-23-17)20-15-7-4-3-6-13(14)15/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyDTHHNVGOCVKEID-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.25
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2351889) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2351889
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H19N3OS/c1-21(2)10-9-19-18(22)14-12-16(17-8-5-11-23-17)20-15-7-4-3-6-13(14)15/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyDTHHNVGOCVKEID-UHFFFAOYSA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 2351889) is N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide is CN(C)CCNC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is DTHHNVGOCVKEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-21(2)10-9-19-18(22)14-12-16(17-8-5-11-23-17)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-ylquinoline-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2351889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).