2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide

C19H15N3O3S — CID 66495460

IUPAC2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2cccs2)Cc2[nH]c(=O)c(C(=O)Nc3ccccn3)cc21
InChIInChI=1S/C19H15N3O3S/c23-15-9-11(16-4-3-7-26-16)8-14-12(15)10-13(18(24)21-14)19(25)22-17-5-1-2-6-20-17/h1-7,10-11H,8-9H2,(H,21,24)(H,20,22,25)
InChIKeyWIBVSKFRUZGUIW-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.00
Rot. Bonds3

About 2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide

2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 66495460) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID66495460
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2cccs2)Cc2[nH]c(=O)c(C(=O)Nc3ccccn3)cc21
InChIInChI=1S/C19H15N3O3S/c23-15-9-11(16-4-3-7-26-16)8-14-12(15)10-13(18(24)21-14)19(25)22-17-5-1-2-6-20-17/h1-7,10-11H,8-9H2,(H,21,24)(H,20,22,25)
InChIKeyWIBVSKFRUZGUIW-UHFFFAOYSA-N
XLogP3.00
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-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 2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 66495460) is 2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CC(c2cccs2)Cc2[nH]c(=O)c(C(=O)Nc3ccccn3)cc21.
What is the InChIKey of 2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is WIBVSKFRUZGUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-15-9-11(16-4-3-7-26-16)8-14-12(15)10-13(18(24)21-14)19(25)22-17-5-1-2-6-20-17/h1-7,10-11H,8-9H2,(H,21,24)(H,20,22,25).
What are the key properties of 2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 66495460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).