N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide

C15H10BrN3O2 — CID 102674190

IUPACN-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H10BrN3O2/c16-9-5-6-17-13(7-9)19-15(21)11-8-14(20)18-12-4-2-1-3-10(11)12/h1-8H,(H,18,20)(H,17,19,21)
InChIKeyVVQWNPQLAFSWMD-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.94
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide

N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 102674190) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID102674190
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC NameN-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H10BrN3O2/c16-9-5-6-17-13(7-9)19-15(21)11-8-14(20)18-12-4-2-1-3-10(11)12/h1-8H,(H,18,20)(H,17,19,21)
InChIKeyVVQWNPQLAFSWMD-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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Related Compounds

N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 167879450
N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51127762
N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 115683240
N-(4-bromo-2-pyridinyl)-1H-indole-2-carboxamide
CID 102674192
N-(3-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 103892932
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7545590
N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71896808
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 8840546
2-oxo-N-(2-phenylphenyl)-1H-quinoline-4-carboxamide
CID 2540380

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide (CID 102674190) is N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1cc(Br)ccn1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is VVQWNPQLAFSWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-9-5-6-17-13(7-9)19-15(21)11-8-14(20)18-12-4-2-1-3-10(11)12/h1-8H,(H,18,20)(H,17,19,21).
What are the key properties of N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-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 N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 102674190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).