N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide

C22H17ClN4O — CID 3776892

IUPACN'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H17ClN4O/c23-17-10-6-9-16(14-17)22(28)27-26-21-20(13-15-7-2-1-3-8-15)24-18-11-4-5-12-19(18)25-21/h1-12,14H,13H2,(H,25,26)(H,27,28)
InChIKeyHWNPNGKMUCUZAB-UHFFFAOYSA-N
MW388.86 g/mol
LogP4.63
Rot. Bonds5

About N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide

N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide (PubChem CID 3776892) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide
PubChem CID3776892
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC NameN'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C22H17ClN4O/c23-17-10-6-9-16(14-17)22(28)27-26-21-20(13-15-7-2-1-3-8-15)24-18-11-4-5-12-19(18)25-21/h1-12,14H,13H2,(H,25,26)(H,27,28)
InChIKeyHWNPNGKMUCUZAB-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.63
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

N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
CID 1470918
N'-(3-benzylquinoxalin-2-yl)acetohydrazide
CID 118731253
N'-(3-benzylquinoxalin-2-yl)benzohydrazide
CID 118731254
N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide
CID 118731255
N'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide
CID 118731258
N'-methyl-N'-[3-(trifluoromethyl)-2-quinoxalinyl]benzenecarbohydrazide
CID 3326253
4-methyl-N'-[3-(trifluoromethyl)-2-quinoxalinyl]benzenecarbohydrazide
CID 3774974
N'-[3-(trifluoromethyl)-2-quinoxalinyl]benzenecarbohydrazide
CID 4322148
N',4-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
CID 4341782
3-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 139224371
4-amino-N'-(3-chloroquinoxalin-2-yl)benzohydrazide
CID 178297001
4-amino-N'-(3-methylquinoxalin-2-yl)benzohydrazide
CID 178320431

Frequently Asked Questions

What is the IUPAC name of N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide?
The IUPAC name of N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide (CID 3776892) is N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide.
What is the SMILES notation for N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide?
The canonical SMILES for N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide is O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide?
The InChIKey is HWNPNGKMUCUZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c23-17-10-6-9-16(14-17)22(28)27-26-21-20(13-15-7-2-1-3-8-15)24-18-11-4-5-12-19(18)25-21/h1-12,14H,13H2,(H,25,26)(H,27,28).
What are the key properties of N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide?
N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide has a molecular weight of 388.86 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-benzylquinoxalin-2-yl)-3-chlorobenzohydrazide is sourced from PubChem (CID 3776892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).