N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide

C19H21N3OS — CID 2090061

IUPACN-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H21N3OS/c1-22(2)11-6-10-20-19(23)15-13-17(18-9-5-12-24-18)21-16-8-4-3-7-14(15)16/h3-5,7-9,12-13H,6,10-11H2,1-2H3,(H,20,23)
InChIKeyLTGWLFPMTVYENR-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.64
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2090061) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2090061
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H21N3OS/c1-22(2)11-6-10-20-19(23)15-13-17(18-9-5-12-24-18)21-16-8-4-3-7-14(15)16/h3-5,7-9,12-13H,6,10-11H2,1-2H3,(H,20,23)
InChIKeyLTGWLFPMTVYENR-UHFFFAOYSA-N
XLogP3.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 2090061) is N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide is CN(C)CCCNC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is LTGWLFPMTVYENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-22(2)11-6-10-20-19(23)15-13-17(18-9-5-12-24-18)21-16-8-4-3-7-14(15)16/h3-5,7-9,12-13H,6,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2090061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).