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

C16H11BrClFN4O — CID 71180782

IUPACN'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide
SMILESCc1nc2ccc(Br)cc2nc1NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H11BrClFN4O/c1-8-15(21-13-7-9(17)5-6-12(13)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyBVTPDXKJKOZYAO-UHFFFAOYSA-N
MW409.65 g/mol
LogP4.25
Rot. Bonds3

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

N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide (PubChem CID 71180782) has the molecular formula C16H11BrClFN4O and a molecular weight of 409.65 g/mol. Its IUPAC name is N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide
PubChem CID71180782
Molecular FormulaC16H11BrClFN4O
Molecular Weight409.65 g/mol
Exact Mass407.98
IUPAC NameN'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide
SMILESCc1nc2ccc(Br)cc2nc1NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H11BrClFN4O/c1-8-15(21-13-7-9(17)5-6-12(13)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyBVTPDXKJKOZYAO-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.65
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 118731255
CID 118731255
CID 118731258
CID 118731258
CID 1470936
CID 1470936
CID 1470945
CID 1470945
CID 71180732
CID 71180732
CID 3776892
CID 3776892
CID 68297286
CID 68297286
CID 71180027
CID 71180027
CID 71180029
CID 71180029
CID 159849980
CID 159849980
CID 163556128
CID 163556128
CID 3976129
CID 3976129

Frequently Asked Questions

What is the IUPAC name of N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide?
The IUPAC name of N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide (CID 71180782) is N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide.
What is the SMILES notation for N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide?
The canonical SMILES for N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide is Cc1nc2ccc(Br)cc2nc1NNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide?
The InChIKey is BVTPDXKJKOZYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClFN4O/c1-8-15(21-13-7-9(17)5-6-12(13)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,21,22)(H,23,24).
What are the key properties of N'-(7-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 409.65 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide is sourced from PubChem (CID 71180782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).