15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one

C25H20N2O2 — CID 20810847

IUPAC15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
SMILESCc1ccc(OCNc2ccc3nc(C)cc4c3c2C(=O)c2ccccc2-4)cc1
InChIInChI=1S/C25H20N2O2/c1-15-7-9-17(10-8-15)29-14-26-21-11-12-22-23-20(13-16(2)27-22)18-5-3-4-6-19(18)25(28)24(21)23/h3-13,26H,14H2,1-2H3
InChIKeyZIIMTCYQHOTMFW-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.51
Rot. Bonds4

About 15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one

15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one (PubChem CID 20810847) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one.

Molecular Properties

Compound Name15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
PubChem CID20810847
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
SMILESCc1ccc(OCNc2ccc3nc(C)cc4c3c2C(=O)c2ccccc2-4)cc1
InChIInChI=1S/C25H20N2O2/c1-15-7-9-17(10-8-15)29-14-26-21-11-12-22-23-20(13-16(2)27-22)18-5-3-4-6-19(18)25(28)24(21)23/h3-13,26H,14H2,1-2H3
InChIKeyZIIMTCYQHOTMFW-UHFFFAOYSA-N
XLogP5.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-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

4-methyl-12-(4-methylanilino)-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-14-one
CID 13288715
6-anilino-15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
CID 20810791
6-(phenoxymethylamino)-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
CID 21014604
10-(4-methylanilino)-14-(4-methylphenyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
CID 15279527
N-ethylmethanesulfonamide;14-methyl-10-(4-methylanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
CID 91354209
2,3-bis(4-methylphenoxy)naphthalene-1,4-dione
CID 14091253
anthracene-9,10-dione;tris(4-methylphenyl) phosphate
CID 175314566
7-methylindeno[1,2-b]quinoxalin-11-one
CID 2799070
10-(6-aminohexylamino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
CID 123987145
2-methylbenzo[j]phenanthridine-7,12-dione
CID 57328334
2-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 1209403
3-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]propanoic acid
CID 16833215

Frequently Asked Questions

What is the IUPAC name of 15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one?
The IUPAC name of 15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one (CID 20810847) is 15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one.
What is the SMILES notation for 15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one?
The canonical SMILES for 15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one is Cc1ccc(OCNc2ccc3nc(C)cc4c3c2C(=O)c2ccccc2-4)cc1.
What is the InChIKey of 15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one?
The InChIKey is ZIIMTCYQHOTMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-15-7-9-17(10-8-15)29-14-26-21-11-12-22-23-20(13-16(2)27-22)18-5-3-4-6-19(18)25(28)24(21)23/h3-13,26H,14H2,1-2H3.
What are the key properties of 15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one?
15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one has a molecular weight of 380.45 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-10-[(4-methylphenoxy)methylamino]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one is sourced from PubChem (CID 20810847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).