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

C17H16N2O2 — CID 58983041

IUPAC7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C
InChIInChI=1S/C17H16N2O2/c1-19-15-9-8-13(21-2)10-14(15)17(18-11-16(19)20)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyDDEUQSKXBUAGMW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.51
Rot. Bonds2

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

7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 58983041) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID58983041
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C
InChIInChI=1S/C17H16N2O2/c1-19-15-9-8-13(21-2)10-14(15)17(18-11-16(19)20)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyDDEUQSKXBUAGMW-UHFFFAOYSA-N
XLogP2.51
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 58983041) is 7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is COc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C.
What is the InChIKey of 7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is DDEUQSKXBUAGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19-15-9-8-13(21-2)10-14(15)17(18-11-16(19)20)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of 7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 58983041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).