11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one

C26H15NO2 — CID 102155809

IUPAC11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one
SMILESO=C1c2ccccc2-c2c1c1ccc3ccccc3n1c2C(=O)c1ccccc1
InChIInChI=1S/C26H15NO2/c28-25(17-9-2-1-3-10-17)24-22-18-11-5-6-12-19(18)26(29)23(22)21-15-14-16-8-4-7-13-20(16)27(21)24/h1-15H
InChIKeyCOJMLDRVCITIRF-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.53
Rot. Bonds2

About 11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one

11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one (PubChem CID 102155809) has the molecular formula C26H15NO2 and a molecular weight of 373.41 g/mol. Its IUPAC name is 11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one.

Molecular Properties

Compound Name11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one
PubChem CID102155809
Molecular FormulaC26H15NO2
Molecular Weight373.41 g/mol
Exact Mass373.11
IUPAC Name11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one
SMILESO=C1c2ccccc2-c2c1c1ccc3ccccc3n1c2C(=O)c1ccccc1
InChIInChI=1S/C26H15NO2/c28-25(17-9-2-1-3-10-17)24-22-18-11-5-6-12-19(18)26(29)23(22)21-15-14-16-8-4-7-13-20(16)27(21)24/h1-15H
InChIKeyCOJMLDRVCITIRF-UHFFFAOYSA-N
XLogP5.53
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-acetyl-13-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1,4,6,8,11,14,16,18,20-nonaene-3,10-dione
CID 12067049
6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
CID 12067040
dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 44612996
ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 132596232
ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate
CID 132596240
indolo[1,2-a]quinolin-6-yl(phenyl)methanone
CID 102044389
ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 132596236
disodium;diphenylmethanone
CID 19380838
3-benzoyl-1,2-dimethylbenzo[f]indole-4,9-dione
CID 10711417
methyl 3-benzoyl-1-(trifluoromethyl)pyrrolo[1,2-a]quinoline-2-carboxylate
CID 132539065
1,2-diphenylethane-1,2-dione;phenanthrene-9,10-dione
CID 175371588
2-benzoyl-9-oxofluorene-1-carboxylic acid
CID 165349284

Frequently Asked Questions

What is the IUPAC name of 11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one?
The IUPAC name of 11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one (CID 102155809) is 11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one.
What is the SMILES notation for 11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one?
The canonical SMILES for 11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one is O=C1c2ccccc2-c2c1c1ccc3ccccc3n1c2C(=O)c1ccccc1.
What is the InChIKey of 11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one?
The InChIKey is COJMLDRVCITIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15NO2/c28-25(17-9-2-1-3-10-17)24-22-18-11-5-6-12-19(18)26(29)23(22)21-15-14-16-8-4-7-13-20(16)27(21)24/h1-15H.
What are the key properties of 11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one?
11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one has a molecular weight of 373.41 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one is sourced from PubChem (CID 102155809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).