3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one

C17H14N2O2 — CID 13477805

IUPAC3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one
SMILESCOc1ccc2cc3n(c2c1)Cc1ccccc1NC3=O
InChIInChI=1S/C17H14N2O2/c1-21-13-7-6-11-8-16-17(20)18-14-5-3-2-4-12(14)10-19(16)15(11)9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYWGIFLIUCBDYBB-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.26
Rot. Bonds1

About 3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one

3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one (PubChem CID 13477805) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one.

Molecular Properties

Compound Name3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one
PubChem CID13477805
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one
SMILESCOc1ccc2cc3n(c2c1)Cc1ccccc1NC3=O
InChIInChI=1S/C17H14N2O2/c1-21-13-7-6-11-8-16-17(20)18-14-5-3-2-4-12(14)10-19(16)15(11)9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYWGIFLIUCBDYBB-UHFFFAOYSA-N
XLogP3.26
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one?
The IUPAC name of 3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one (CID 13477805) is 3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one.
What is the SMILES notation for 3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one?
The canonical SMILES for 3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one is COc1ccc2cc3n(c2c1)Cc1ccccc1NC3=O.
What is the InChIKey of 3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one?
The InChIKey is YWGIFLIUCBDYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-13-7-6-11-8-16-17(20)18-14-5-3-2-4-12(14)10-19(16)15(11)9-13/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one?
3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one has a molecular weight of 278.31 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one is sourced from PubChem (CID 13477805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).