16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione

C24H15NO3 — CID 122226298

IUPAC16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
SMILESCC(=O)c1ccc(-c2[nH]c(=O)c3cccc4c3c2-c2ccccc2C4=O)cc1
InChIInChI=1S/C24H15NO3/c1-13(26)14-9-11-15(12-10-14)22-21-16-5-2-3-6-17(16)23(27)18-7-4-8-19(20(18)21)24(28)25-22/h2-12H,1H3,(H,25,28)
InChIKeyZLZSYKXVZLBDRI-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.61
Rot. Bonds2

About 16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione

16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione (PubChem CID 122226298) has the molecular formula C24H15NO3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione.

Molecular Properties

Compound Name16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
PubChem CID122226298
Molecular FormulaC24H15NO3
Molecular Weight365.39 g/mol
Exact Mass365.11
IUPAC Name16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
SMILESCC(=O)c1ccc(-c2[nH]c(=O)c3cccc4c3c2-c2ccccc2C4=O)cc1
InChIInChI=1S/C24H15NO3/c1-13(26)14-9-11-15(12-10-14)22-21-16-5-2-3-6-17(16)23(27)18-7-4-8-19(20(18)21)24(28)25-22/h2-12H,1H3,(H,25,28)
InChIKeyZLZSYKXVZLBDRI-UHFFFAOYSA-N
XLogP4.61
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione 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

16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
CID 122226300
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
3,18-bis(4-acetylphenyl)octacyclo[17.11.1.14,12.02,17.05,10.020,25.027,31.016,32]dotriaconta-1(31),2(17),3,5,7,9,12,14,16(32),18,20,22,24,27,29-pentadecaene-11,26-dione
CID 122226305
N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide
CID 3376321
4-[3-(4-carboxyphenyl)-1-oxo-2H-isoquinolin-4-yl]-2,3-diethylbenzoic acid
CID 175436153
1-[4-(3-benzyl-1H-indol-2-yl)phenyl]ethanone
CID 101026071
1-[2-(4-acetylphenyl)ethynyl]anthracene-9,10-dione
CID 122226295
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
1-[4-(4-acetylnaphthalen-1-yl)phenyl]ethanone
CID 58315812
10-acetyl-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-14-one
CID 23265590
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone
CID 24786462

Frequently Asked Questions

What is the IUPAC name of 16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione?
The IUPAC name of 16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione (CID 122226298) is 16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione.
What is the SMILES notation for 16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione?
The canonical SMILES for 16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione is CC(=O)c1ccc(-c2[nH]c(=O)c3cccc4c3c2-c2ccccc2C4=O)cc1.
What is the InChIKey of 16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione?
The InChIKey is ZLZSYKXVZLBDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO3/c1-13(26)14-9-11-15(12-10-14)22-21-16-5-2-3-6-17(16)23(27)18-7-4-8-19(20(18)21)24(28)25-22/h2-12H,1H3,(H,25,28).
What are the key properties of 16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione?
16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione has a molecular weight of 365.39 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione is sourced from PubChem (CID 122226298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).