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

C19H19N5O2S — CID 69456743

IUPAC3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide
SMILESCN(C)CCC(=O)Nc1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C19H19N5O2S/c1-23(2)7-5-18(25)20-15-10-17-21-22-19(26)24(17)16-9-12(3-4-14(15)16)13-6-8-27-11-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyRISGDPZHROSWOU-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.79
Rot. Bonds5

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

3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide (PubChem CID 69456743) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide
PubChem CID69456743
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide
SMILESCN(C)CCC(=O)Nc1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C19H19N5O2S/c1-23(2)7-5-18(25)20-15-10-17-21-22-19(26)24(17)16-9-12(3-4-14(15)16)13-6-8-27-11-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyRISGDPZHROSWOU-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide?
The IUPAC name of 3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide (CID 69456743) is 3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide?
The canonical SMILES for 3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide is CN(C)CCC(=O)Nc1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12.
What is the InChIKey of 3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide?
The InChIKey is RISGDPZHROSWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-23(2)7-5-18(25)20-15-10-17-21-22-19(26)24(17)16-9-12(3-4-14(15)16)13-6-8-27-11-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of 3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide?
3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide has a molecular weight of 381.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide is sourced from PubChem (CID 69456743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).