2-aminoquinoline-3-carboxamide

C10H9N3O — CID 5200228

IUPAC2-aminoquinoline-3-carboxamide
SMILESNC(=O)c1cc2ccccc2nc1N
InChIInChI=1S/C10H9N3O/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5H,(H2,11,13)(H2,12,14)
InChIKeyGXZOXGRLLFZVGF-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.92
Rot. Bonds1

About 2-aminoquinoline-3-carboxamide

2-aminoquinoline-3-carboxamide (PubChem CID 5200228) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-aminoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-aminoquinoline-3-carboxamide
PubChem CID5200228
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-aminoquinoline-3-carboxamide
SMILESNC(=O)c1cc2ccccc2nc1N
InChIInChI=1S/C10H9N3O/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5H,(H2,11,13)(H2,12,14)
InChIKeyGXZOXGRLLFZVGF-UHFFFAOYSA-N
XLogP0.92
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminoquinoline-3-carboxamide?
The IUPAC name of 2-aminoquinoline-3-carboxamide (CID 5200228) is 2-aminoquinoline-3-carboxamide.
What is the SMILES notation for 2-aminoquinoline-3-carboxamide?
The canonical SMILES for 2-aminoquinoline-3-carboxamide is NC(=O)c1cc2ccccc2nc1N.
What is the InChIKey of 2-aminoquinoline-3-carboxamide?
The InChIKey is GXZOXGRLLFZVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5H,(H2,11,13)(H2,12,14).
What are the key properties of 2-aminoquinoline-3-carboxamide?
2-aminoquinoline-3-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoquinoline-3-carboxamide is sourced from PubChem (CID 5200228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).