2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide

C21H15ClN4O — CID 3976129

IUPAC2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H15ClN4O/c22-16-11-5-4-10-15(16)21(27)26-25-20-19(14-8-2-1-3-9-14)23-17-12-6-7-13-18(17)24-20/h1-13H,(H,24,25)(H,26,27)
InChIKeyUQGMWRLZQFJGGX-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.71
Rot. Bonds4

About 2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide

2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide (PubChem CID 3976129) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide
PubChem CID3976129
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H15ClN4O/c22-16-11-5-4-10-15(16)21(27)26-25-20-19(14-8-2-1-3-9-14)23-17-12-6-7-13-18(17)24-20/h1-13H,(H,24,25)(H,26,27)
InChIKeyUQGMWRLZQFJGGX-UHFFFAOYSA-N
XLogP4.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.71
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 1470918
CID 1470918
CID 118731254
CID 118731254
CID 118731255
CID 118731255
CID 118731258
CID 118731258
CID 3138573
CID 3138573
CID 3326253
CID 3326253
CID 3774974
CID 3774974
CID 4322148
CID 4322148
CID 4341782
CID 4341782
CID 178297001
CID 178297001
CID 178320431
CID 178320431
CID 1470936
CID 1470936

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide?
The IUPAC name of 2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide (CID 3976129) is 2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide.
What is the SMILES notation for 2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide?
The canonical SMILES for 2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide is O=C(NNc1nc2ccccc2nc1-c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide?
The InChIKey is UQGMWRLZQFJGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-16-11-5-4-10-15(16)21(27)26-25-20-19(14-8-2-1-3-9-14)23-17-12-6-7-13-18(17)24-20/h1-13H,(H,24,25)(H,26,27).
What are the key properties of 2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide?
2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide has a molecular weight of 374.83 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3-phenylquinoxalin-2-yl)benzohydrazide is sourced from PubChem (CID 3976129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).