5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one

C18H15N3O — CID 135482672

IUPAC5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one
SMILESCC1=Nc2ccccc2Nc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C18H15N3O/c1-11-16-17(20-14-9-5-4-8-13(14)19-11)12-7-3-6-10-15(12)21(2)18(16)22/h3-10,20H,1-2H3
InChIKeyXECJZSZMVSYSPM-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.74
Rot. Bonds

About 5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one

5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one (PubChem CID 135482672) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one.

Molecular Properties

Compound Name5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one
PubChem CID135482672
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one
SMILESCC1=Nc2ccccc2Nc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C18H15N3O/c1-11-16-17(20-14-9-5-4-8-13(14)19-11)12-7-3-6-10-15(12)21(2)18(16)22/h3-10,20H,1-2H3
InChIKeyXECJZSZMVSYSPM-UHFFFAOYSA-N
XLogP3.74
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one with MolForge

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Related Compounds

10-methyl-5,11-dihydroindolo[3,2-b][1]benzazepin-12-one
CID 10539412
3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one
CID 136829145
ethane;4-hydroxy-1-methyl-3-(1-methyl-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-3-yl)quinolin-2-one
CID 136599053
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one
CID 135481618
1,3-dimethyl-4-phenoxyquinolin-2-one
CID 151532277
2,5-dimethyl-12H-quinolino[3,4-b][1,4]benzothiazin-6-one
CID 24975744
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one
CID 2785867
3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one
CID 2750999
2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135421568

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one?
The IUPAC name of 5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one (CID 135482672) is 5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one.
What is the SMILES notation for 5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one?
The canonical SMILES for 5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one is CC1=Nc2ccccc2Nc2c1c(=O)n(C)c1ccccc21.
What is the InChIKey of 5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one?
The InChIKey is XECJZSZMVSYSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-11-16-17(20-14-9-5-4-8-13(14)19-11)12-7-3-6-10-15(12)21(2)18(16)22/h3-10,20H,1-2H3.
What are the key properties of 5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one?
5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one has a molecular weight of 289.34 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one is sourced from PubChem (CID 135482672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).