2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one

C16H16N2O3 — CID 102364443

IUPAC2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one
SMILESCOc1ccc2c(c1)N(C)c1ccccc1C(=O)N2OC
InChIInChI=1S/C16H16N2O3/c1-17-13-7-5-4-6-12(13)16(19)18(21-3)14-9-8-11(20-2)10-15(14)17/h4-10H,1-3H3
InChIKeyMDGJWJFAHYCMPG-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.98
Rot. Bonds2

About 2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one

2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one (PubChem CID 102364443) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one
PubChem CID102364443
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one
SMILESCOc1ccc2c(c1)N(C)c1ccccc1C(=O)N2OC
InChIInChI=1S/C16H16N2O3/c1-17-13-7-5-4-6-12(13)16(19)18(21-3)14-9-8-11(20-2)10-15(14)17/h4-10H,1-3H3
InChIKeyMDGJWJFAHYCMPG-UHFFFAOYSA-N
XLogP2.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-11-methyl-5-[2-(methylamino)ethyl]benzo[b][1,4]benzodiazepin-6-one
CID 164683042
5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione
CID 102006402
(3Z)-5-methoxy-1-methyl-3-(1-phenylethylidene)indol-2-one
CID 101469005
1-(2,5-dimethoxyphenyl)indole-2,3-dione
CID 53359249
3-methoxy-10-methylphenothiazine
CID 18761115
7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
CID 134873971
3-methoxyimino-1-methylindol-2-one
CID 2729193
2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione
CID 619974
7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 58983041
(1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate
CID 122221274
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
CID 10335547
(3E)-3-[(2-chloro-5-methoxy-1H-indol-3-yl)methylidene]-1-methylindol-2-one
CID 10759489

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one?
The IUPAC name of 2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one (CID 102364443) is 2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one?
The canonical SMILES for 2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one is COc1ccc2c(c1)N(C)c1ccccc1C(=O)N2OC.
What is the InChIKey of 2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one?
The InChIKey is MDGJWJFAHYCMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-13-7-5-4-6-12(13)16(19)18(21-3)14-9-8-11(20-2)10-15(14)17/h4-10H,1-3H3.
What are the key properties of 2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one?
2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one has a molecular weight of 284.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 102364443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).