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

C14H12N2O3S — CID 66495730

IUPAC2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CC(c1cccs1)CC2=O
InChIInChI=1S/C14H12N2O3S/c15-13(18)9-6-8-10(16-14(9)19)4-7(5-11(8)17)12-2-1-3-20-12/h1-3,6-7H,4-5H2,(H2,15,18)(H,16,19)
InChIKeyYQGYEYOMIANVJD-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.45
Rot. Bonds2

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

2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 66495730) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID66495730
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CC(c1cccs1)CC2=O
InChIInChI=1S/C14H12N2O3S/c15-13(18)9-6-8-10(16-14(9)19)4-7(5-11(8)17)12-2-1-3-20-12/h1-3,6-7H,4-5H2,(H2,15,18)(H,16,19)
InChIKeyYQGYEYOMIANVJD-UHFFFAOYSA-N
XLogP1.45
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 66495730) is 2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is NC(=O)c1cc2c([nH]c1=O)CC(c1cccs1)CC2=O.
What is the InChIKey of 2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is YQGYEYOMIANVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c15-13(18)9-6-8-10(16-14(9)19)4-7(5-11(8)17)12-2-1-3-20-12/h1-3,6-7H,4-5H2,(H2,15,18)(H,16,19).
What are the key properties of 2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 66495730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).