N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide

C32H22Br2Cl2F2N8O2 — CID 159849980

IUPACN'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide
SMILESCc1nc2cc(Br)ccc2nc1NNC(=O)c1c(F)cccc1Cl.Cc1nc2ccc(Br)cc2nc1NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/2C16H11BrClFN4O/c1-8-15(21-12-6-5-9(17)7-13(12)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19;1-8-15(21-13-7-9(17)5-6-12(13)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19/h2*2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyNPUOJAKLSZUMQD-UHFFFAOYSA-N
MW819.29 g/mol
LogP8.50
Rot. Bonds6

About N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide

N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide (PubChem CID 159849980) has the molecular formula C32H22Br2Cl2F2N8O2 and a molecular weight of 819.29 g/mol. Its IUPAC name is N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide
PubChem CID159849980
Molecular FormulaC32H22Br2Cl2F2N8O2
Molecular Weight819.29 g/mol
Exact Mass815.96
IUPAC NameN'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide
SMILESCc1nc2cc(Br)ccc2nc1NNC(=O)c1c(F)cccc1Cl.Cc1nc2ccc(Br)cc2nc1NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/2C16H11BrClFN4O/c1-8-15(21-12-6-5-9(17)7-13(12)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19;1-8-15(21-13-7-9(17)5-6-12(13)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19/h2*2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyNPUOJAKLSZUMQD-UHFFFAOYSA-N
XLogP8.50
TPSA133.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.29
LogP ≤ 58.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide?
The IUPAC name of N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide (CID 159849980) is N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide.
What is the SMILES notation for N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide?
The canonical SMILES for N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide is Cc1nc2cc(Br)ccc2nc1NNC(=O)c1c(F)cccc1Cl.Cc1nc2ccc(Br)cc2nc1NNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide?
The InChIKey is NPUOJAKLSZUMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11BrClFN4O/c1-8-15(21-12-6-5-9(17)7-13(12)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19;1-8-15(21-13-7-9(17)5-6-12(13)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19/h2*2-7H,1H3,(H,21,22)(H,23,24).
What are the key properties of N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide?
N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide has a molecular weight of 819.29 g/mol, XLogP of 8.50, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide;N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide is sourced from PubChem (CID 159849980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).