11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one

C25H20N2O4 — CID 146170256

IUPAC11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one
SMILESCOc1cc(-c2c(=O)c3ccccc3nc3c2[nH]c2ccccc23)cc(OC)c1OC
InChIInChI=1S/C25H20N2O4/c1-29-19-12-14(13-20(30-2)25(19)31-3)21-23-22(15-8-4-6-10-17(15)27-23)26-18-11-7-5-9-16(18)24(21)28/h4-13,27H,1-3H3
InChIKeyRZAOYKZJEJMTAD-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.92
Rot. Bonds4

About 11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one

11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one (PubChem CID 146170256) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one.

Molecular Properties

Compound Name11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one
PubChem CID146170256
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Name11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one
SMILESCOc1cc(-c2c(=O)c3ccccc3nc3c2[nH]c2ccccc23)cc(OC)c1OC
InChIInChI=1S/C25H20N2O4/c1-29-19-12-14(13-20(30-2)25(19)31-3)21-23-22(15-8-4-6-10-17(15)27-23)26-18-11-7-5-9-16(18)24(21)28/h4-13,27H,1-3H3
InChIKeyRZAOYKZJEJMTAD-UHFFFAOYSA-N
XLogP4.92
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-10H-indolo[3,2-b]quinoline-11-carboxylic acid
CID 10493837
4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride
CID 6602977
12-(3,4-dimethoxyphenyl)-11-thia-9,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,9,12,14,16,18-nonaene
CID 177438929
4-oxo-2-(3,4,5-trimethoxyphenyl)-1H-quinoline-3-carbonitrile
CID 166439451
4-(4-fluorophenyl)-2-methoxy-5H-pyrido[3,2-b]indole-3-carbonitrile
CID 171985974
3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one
CID 141127544
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione
CID 46933903
3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one
CID 135778046
2-[2-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one
CID 162668702
2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
CID 171988113
3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol
CID 137290352

Frequently Asked Questions

What is the IUPAC name of 11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one?
The IUPAC name of 11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one (CID 146170256) is 11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one.
What is the SMILES notation for 11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one?
The canonical SMILES for 11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one is COc1cc(-c2c(=O)c3ccccc3nc3c2[nH]c2ccccc23)cc(OC)c1OC.
What is the InChIKey of 11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one?
The InChIKey is RZAOYKZJEJMTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-29-19-12-14(13-20(30-2)25(19)31-3)21-23-22(15-8-4-6-10-17(15)27-23)26-18-11-7-5-9-16(18)24(21)28/h4-13,27H,1-3H3.
What are the key properties of 11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one?
11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one has a molecular weight of 412.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one is sourced from PubChem (CID 146170256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).