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

C10H10N2O3 — CID 13005093

IUPAC2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C10H10N2O3/c11-9(14)6-4-5-7(12-10(6)15)2-1-3-8(5)13/h4H,1-3H2,(H2,11,14)(H,12,15)
InChIKeyCBYCFZZAGFYEDF-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.01
Rot. Bonds1

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

2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 13005093) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID13005093
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C10H10N2O3/c11-9(14)6-4-5-7(12-10(6)15)2-1-3-8(5)13/h4H,1-3H2,(H2,11,14)(H,12,15)
InChIKeyCBYCFZZAGFYEDF-UHFFFAOYSA-N
XLogP-0.01
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 13005093) is 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is NC(=O)c1cc2c([nH]c1=O)CCCC2=O.
What is the InChIKey of 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is CBYCFZZAGFYEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-9(14)6-4-5-7(12-10(6)15)2-1-3-8(5)13/h4H,1-3H2,(H2,11,14)(H,12,15).
What are the key properties of 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 206.20 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 13005093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).