6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide

C18H12BrN7O2 — CID 86892310

IUPAC6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)c1cn[nH]n1
InChIInChI=1S/C18H12BrN7O2/c19-11-1-2-14-12(7-11)13(8-15(22-14)10-3-5-20-6-4-10)17(27)24-25-18(28)16-9-21-26-23-16/h1-9H,(H,24,27)(H,25,28)(H,21,23,26)
InChIKeyRQOVSPTWQMECQJ-UHFFFAOYSA-N
MW438.25 g/mol
LogP2.25
Rot. Bonds3

About 6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide

6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide (PubChem CID 86892310) has the molecular formula C18H12BrN7O2 and a molecular weight of 438.25 g/mol. Its IUPAC name is 6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide
PubChem CID86892310
Molecular FormulaC18H12BrN7O2
Molecular Weight438.25 g/mol
Exact Mass437.02
IUPAC Name6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)c1cn[nH]n1
InChIInChI=1S/C18H12BrN7O2/c19-11-1-2-14-12(7-11)13(8-15(22-14)10-3-5-20-6-4-10)17(27)24-25-18(28)16-9-21-26-23-16/h1-9H,(H,24,27)(H,25,28)(H,21,23,26)
InChIKeyRQOVSPTWQMECQJ-UHFFFAOYSA-N
XLogP2.25
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.25
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide?
The IUPAC name of 6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide (CID 86892310) is 6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide?
The canonical SMILES for 6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide is O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12)c1cn[nH]n1.
What is the InChIKey of 6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide?
The InChIKey is RQOVSPTWQMECQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN7O2/c19-11-1-2-14-12(7-11)13(8-15(22-14)10-3-5-20-6-4-10)17(27)24-25-18(28)16-9-21-26-23-16/h1-9H,(H,24,27)(H,25,28)(H,21,23,26).
What are the key properties of 6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide?
6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide has a molecular weight of 438.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 86892310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).