5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one

C16H11ClN2O3 — CID 11220769

IUPAC5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one
SMILESO=C1Cc2cc3c(cc2C(c2ccc(Cl)cc2)=NN1)OCO3
InChIInChI=1S/C16H11ClN2O3/c17-11-3-1-9(2-4-11)16-12-7-14-13(21-8-22-14)5-10(12)6-15(20)18-19-16/h1-5,7H,6,8H2,(H,18,20)
InChIKeyMOUXOWMEXZDGOX-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.49
Rot. Bonds1

About 5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one

5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one (PubChem CID 11220769) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one
PubChem CID11220769
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one
SMILESO=C1Cc2cc3c(cc2C(c2ccc(Cl)cc2)=NN1)OCO3
InChIInChI=1S/C16H11ClN2O3/c17-11-3-1-9(2-4-11)16-12-7-14-13(21-8-22-14)5-10(12)6-15(20)18-19-16/h1-5,7H,6,8H2,(H,18,20)
InChIKeyMOUXOWMEXZDGOX-UHFFFAOYSA-N
XLogP2.49
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one?
The IUPAC name of 5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one (CID 11220769) is 5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one.
What is the SMILES notation for 5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one?
The canonical SMILES for 5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one is O=C1Cc2cc3c(cc2C(c2ccc(Cl)cc2)=NN1)OCO3.
What is the InChIKey of 5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one?
The InChIKey is MOUXOWMEXZDGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-11-3-1-9(2-4-11)16-12-7-14-13(21-8-22-14)5-10(12)6-15(20)18-19-16/h1-5,7H,6,8H2,(H,18,20).
What are the key properties of 5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one?
5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one has a molecular weight of 314.73 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one is sourced from PubChem (CID 11220769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).