4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one

C16H14N4O — CID 2303746

IUPAC4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one
SMILESCc1nc2ccccc2nc(=O)c1NNc1ccccc1
InChIInChI=1S/C16H14N4O/c1-11-15(20-19-12-7-3-2-4-8-12)16(21)18-14-10-6-5-9-13(14)17-11/h2-10,19H,1H3,(H,18,20,21)
InChIKeyRWIQZKLIGWLCEK-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.74
Rot. Bonds3

About 4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one

4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one (PubChem CID 2303746) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one
PubChem CID2303746
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one
SMILESCc1nc2ccccc2nc(=O)c1NNc1ccccc1
InChIInChI=1S/C16H14N4O/c1-11-15(20-19-12-7-3-2-4-8-12)16(21)18-14-10-6-5-9-13(14)17-11/h2-10,19H,1H3,(H,18,20,21)
InChIKeyRWIQZKLIGWLCEK-UHFFFAOYSA-N
XLogP2.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one
CID 21238883
1-phenyl-2-[4-(2-phenylhydrazinyl)phenyl]hydrazine
CID 169215100
1,2-diphenylhydrazine;hydrobromide
CID 162337860
decane-1-sulfonic acid;1,2-diphenylhydrazine
CID 161360393
CID 161067941
CID 161067941
2-(benzenesulfonyl)-3-methylquinoxaline
CID 1202768
1-(4,6-dimethyl-2-pyridinyl)-2-phenylhydrazine
CID 101229791
2,3-dimethylpyrazino[2,3-b]phenazine
CID 101041837
1,2-diphenylhydrazine;hydrazine
CID 161098943
3-(2-naphthalen-1-ylhydrazinyl)-4-(trifluoromethyl)-1,5-benzodiazepin-2-one
CID 3939849
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-(3-chlorocinnolin-4-yl)-2-phenylhydrazine
CID 86018668

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one?
The IUPAC name of 4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one (CID 2303746) is 4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one is Cc1nc2ccccc2nc(=O)c1NNc1ccccc1.
What is the InChIKey of 4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one?
The InChIKey is RWIQZKLIGWLCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-15(20-19-12-7-3-2-4-8-12)16(21)18-14-10-6-5-9-13(14)17-11/h2-10,19H,1H3,(H,18,20,21).
What are the key properties of 4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one?
4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one is sourced from PubChem (CID 2303746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).