9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

C14H12N2O2 — CID 131887871

IUPAC9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
SMILESCOc1ccc2c(c1)Nc1ccccc1NC2=O
InChIInChI=1S/C14H12N2O2/c1-18-9-6-7-10-13(8-9)15-11-4-2-3-5-12(11)16-14(10)17/h2-8,15H,1H3,(H,16,17)
InChIKeyGFQPNMLQJCMXBP-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.00
Rot. Bonds1

About 9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one (PubChem CID 131887871) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
PubChem CID131887871
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
SMILESCOc1ccc2c(c1)Nc1ccccc1NC2=O
InChIInChI=1S/C14H12N2O2/c1-18-9-6-7-10-13(8-9)15-11-4-2-3-5-12(11)16-14(10)17/h2-8,15H,1H3,(H,16,17)
InChIKeyGFQPNMLQJCMXBP-UHFFFAOYSA-N
XLogP3.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 13445632
3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 71237885
3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one
CID 175999175
(2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione
CID 755391
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
8-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83218286
4-methoxy-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-8-one
CID 91064588
3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one;ethane
CID 142815954
10-methoxy-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 102201703
(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 67357920
(3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 23398029
3-[bis(methylsulfanyl)methylidene]-5-methoxy-1H-indol-2-one
CID 86173525

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The IUPAC name of 9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one (CID 131887871) is 9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The canonical SMILES for 9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one is COc1ccc2c(c1)Nc1ccccc1NC2=O.
What is the InChIKey of 9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The InChIKey is GFQPNMLQJCMXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-18-9-6-7-10-13(8-9)15-11-4-2-3-5-12(11)16-14(10)17/h2-8,15H,1H3,(H,16,17).
What are the key properties of 9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one has a molecular weight of 240.26 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 131887871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).