8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione

C25H17NO4 — CID 101078433

IUPAC8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione
SMILESCOc1ccc(C(=O)c2c3c4c(cccc4c4ccccc24)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C25H17NO4/c1-26-24(28)19-9-5-8-17-16-6-3-4-7-18(16)21(22(20(17)19)25(26)29)23(27)14-10-12-15(30-2)13-11-14/h3-13H,1-2H3
InChIKeyOYHPEXMUONNUBJ-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.46
Rot. Bonds3

About 8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione

8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione (PubChem CID 101078433) has the molecular formula C25H17NO4 and a molecular weight of 395.41 g/mol. Its IUPAC name is 8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione.

Molecular Properties

Compound Name8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione
PubChem CID101078433
Molecular FormulaC25H17NO4
Molecular Weight395.41 g/mol
Exact Mass395.12
IUPAC Name8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione
SMILESCOc1ccc(C(=O)c2c3c4c(cccc4c4ccccc24)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C25H17NO4/c1-26-24(28)19-9-5-8-17-16-6-3-4-7-18(16)21(22(20(17)19)25(26)29)23(27)14-10-12-15(30-2)13-11-14/h3-13H,1-2H3
InChIKeyOYHPEXMUONNUBJ-UHFFFAOYSA-N
XLogP4.46
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione with MolForge

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Related Compounds

11-methyl-8-(pyrimidine-5-carbonyl)-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione
CID 46216922
3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one
CID 102502970
2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide
CID 8718997
4-(4-methoxybenzoyl)-1H-quinazolin-2-one
CID 134117292
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
[8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone
CID 132502678
ethane;methanol;2-methylbenzo[de]isoquinoline-1,3-dione
CID 91221858
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 48502422
dimethyl 3-(4-methoxybenzoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
CID 44612861
8-benzoyl-10-methyl-10-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one
CID 86089963
25,48-dimethyl-25,48-diazaheptadecacyclo[44.6.2.220,23.12,10.17,31.03,42.04,9.05,40.06,33.08,17.011,16.021,30.022,27.034,39.043,53.050,54.019,55]octapentaconta-1(53),2,4(9),5(40),6(33),7,10(58),11,13,15,17,19(55),20,22,27,29,31,34,36,38,41,43,45,50(54),51,56-hexacosaene-24,26,47,49-tetrone;19,46-dimethyl-19,46-diazaoctadecacyclo[38.14.2.22,29.210,13.214,17.241,44.03,8.011,28.012,25.015,24.016,21.030,35.037,55.042,51.043,48.052,56.09,59.036,60]tetrahexaconta-1(54),2,4,6,8,10(64),11(28),12(25),13(63),14(62),15(24),16(21),17(61),22,26,29(59),30,32,34,36(60),37(55),38,40(56),41,43,48,50,52,57-nonacosaene-18,20,45,47-tetrone
CID 159379624
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione?
The IUPAC name of 8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione (CID 101078433) is 8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione.
What is the SMILES notation for 8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione?
The canonical SMILES for 8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione is COc1ccc(C(=O)c2c3c4c(cccc4c4ccccc24)C(=O)N(C)C3=O)cc1.
What is the InChIKey of 8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione?
The InChIKey is OYHPEXMUONNUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO4/c1-26-24(28)19-9-5-8-17-16-6-3-4-7-18(16)21(22(20(17)19)25(26)29)23(27)14-10-12-15(30-2)13-11-14/h3-13H,1-2H3.
What are the key properties of 8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione?
8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione has a molecular weight of 395.41 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione is sourced from PubChem (CID 101078433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).