N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide

C16H11BrClN5O3 — CID 71180029

IUPACN'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide
SMILESCc1nc2cc(Br)ccc2nc1NNC(=O)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H11BrClN5O3/c1-8-15(20-11-6-5-9(17)7-12(11)19-8)21-22-16(24)14-10(18)3-2-4-13(14)23(25)26/h2-7H,1H3,(H,20,21)(H,22,24)
InChIKeyZUONILKJYKKIFM-UHFFFAOYSA-N
MW436.65 g/mol
LogP4.02
Rot. Bonds4

About N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide

N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide (PubChem CID 71180029) has the molecular formula C16H11BrClN5O3 and a molecular weight of 436.65 g/mol. Its IUPAC name is N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide
PubChem CID71180029
Molecular FormulaC16H11BrClN5O3
Molecular Weight436.65 g/mol
Exact Mass434.97
IUPAC NameN'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide
SMILESCc1nc2cc(Br)ccc2nc1NNC(=O)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H11BrClN5O3/c1-8-15(20-11-6-5-9(17)7-12(11)19-8)21-22-16(24)14-10(18)3-2-4-13(14)23(25)26/h2-7H,1H3,(H,20,21)(H,22,24)
InChIKeyZUONILKJYKKIFM-UHFFFAOYSA-N
XLogP4.02
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.65
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 71180732
CID 71180732
CID 71180782
CID 71180782
CID 71180027
CID 71180027
CID 158086563
CID 158086563
CID 163556128
CID 163556128
CID 158086564
CID 158086564

Frequently Asked Questions

What is the IUPAC name of N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide?
The IUPAC name of N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide (CID 71180029) is N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide.
What is the SMILES notation for N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide?
The canonical SMILES for N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide is Cc1nc2cc(Br)ccc2nc1NNC(=O)c1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide?
The InChIKey is ZUONILKJYKKIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN5O3/c1-8-15(20-11-6-5-9(17)7-12(11)19-8)21-22-16(24)14-10(18)3-2-4-13(14)23(25)26/h2-7H,1H3,(H,20,21)(H,22,24).
What are the key properties of N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide?
N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide has a molecular weight of 436.65 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-nitrobenzohydrazide is sourced from PubChem (CID 71180029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).