2-formylquinoline-4-carboxamide

C11H8N2O2 — CID 15560688

IUPAC2-formylquinoline-4-carboxamide
SMILESNC(=O)c1cc(C=O)nc2ccccc12
InChIInChI=1S/C11H8N2O2/c12-11(15)9-5-7(6-14)13-10-4-2-1-3-8(9)10/h1-6H,(H2,12,15)
InChIKeyUCQPJIQVBYEIRI-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.15
Rot. Bonds2

About 2-formylquinoline-4-carboxamide

2-formylquinoline-4-carboxamide (PubChem CID 15560688) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-formylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-formylquinoline-4-carboxamide
PubChem CID15560688
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2-formylquinoline-4-carboxamide
SMILESNC(=O)c1cc(C=O)nc2ccccc12
InChIInChI=1S/C11H8N2O2/c12-11(15)9-5-7(6-14)13-10-4-2-1-3-8(9)10/h1-6H,(H2,12,15)
InChIKeyUCQPJIQVBYEIRI-UHFFFAOYSA-N
XLogP1.15
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formylquinoline-4-carboxamide?
The IUPAC name of 2-formylquinoline-4-carboxamide (CID 15560688) is 2-formylquinoline-4-carboxamide.
What is the SMILES notation for 2-formylquinoline-4-carboxamide?
The canonical SMILES for 2-formylquinoline-4-carboxamide is NC(=O)c1cc(C=O)nc2ccccc12.
What is the InChIKey of 2-formylquinoline-4-carboxamide?
The InChIKey is UCQPJIQVBYEIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c12-11(15)9-5-7(6-14)13-10-4-2-1-3-8(9)10/h1-6H,(H2,12,15).
What are the key properties of 2-formylquinoline-4-carboxamide?
2-formylquinoline-4-carboxamide has a molecular weight of 200.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formylquinoline-4-carboxamide is sourced from PubChem (CID 15560688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).