7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

C16H15N3O — CID 23275339

IUPAC7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)CN=C(c2ccccc2)c2cc(N)ccc21
InChIInChI=1S/C16H15N3O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10,17H2,1H3
InChIKeyOALPQSAJOMDTDB-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.08
Rot. Bonds1

About 7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 23275339) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID23275339
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)CN=C(c2ccccc2)c2cc(N)ccc21
InChIInChI=1S/C16H15N3O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10,17H2,1H3
InChIKeyOALPQSAJOMDTDB-UHFFFAOYSA-N
XLogP2.08
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 23275339) is 7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is CN1C(=O)CN=C(c2ccccc2)c2cc(N)ccc21.
What is the InChIKey of 7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is OALPQSAJOMDTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10,17H2,1H3.
What are the key properties of 7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 23275339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).