5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide

C15H10BrN3O2 — CID 52947933

IUPAC5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C15H10BrN3O2/c16-10-7-11(14(20)18-8-10)15(21)19-12-5-1-3-9-4-2-6-17-13(9)12/h1-8H,(H,18,20)(H,19,21)
InChIKeyAPBABYLCAJJYMV-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.94
Rot. Bonds2

About 5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide

5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide (PubChem CID 52947933) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide
PubChem CID52947933
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC Name5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C15H10BrN3O2/c16-10-7-11(14(20)18-8-10)15(21)19-12-5-1-3-9-4-2-6-17-13(9)12/h1-8H,(H,18,20)(H,19,21)
InChIKeyAPBABYLCAJJYMV-UHFFFAOYSA-N
XLogP2.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide (CID 52947933) is 5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide is O=C(Nc1cccc2cccnc12)c1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide?
The InChIKey is APBABYLCAJJYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-10-7-11(14(20)18-8-10)15(21)19-12-5-1-3-9-4-2-6-17-13(9)12/h1-8H,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide?
5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide has a molecular weight of 344.17 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-oxo-N-quinolin-8-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 52947933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).