N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide

C19H19N5O2S — CID 69454063

IUPACN-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C19H19N5O2S/c1-23(2)7-6-20-18(25)15-10-17-21-22-19(26)24(17)16-9-12(3-4-14(15)16)13-5-8-27-11-13/h3-5,8-11H,6-7H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyQSQLHLHGJNOYLH-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.20
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide

N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide (PubChem CID 69454063) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
PubChem CID69454063
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C19H19N5O2S/c1-23(2)7-6-20-18(25)15-10-17-21-22-19(26)24(17)16-9-12(3-4-14(15)16)13-5-8-27-11-13/h3-5,8-11H,6-7H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyQSQLHLHGJNOYLH-UHFFFAOYSA-N
XLogP2.20
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide (CID 69454063) is N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide is CN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The InChIKey is QSQLHLHGJNOYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-23(2)7-6-20-18(25)15-10-17-21-22-19(26)24(17)16-9-12(3-4-14(15)16)13-5-8-27-11-13/h3-5,8-11H,6-7H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide is sourced from PubChem (CID 69454063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).