3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one

C16H15N3O — CID 71148065

IUPAC3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one
SMILESCc1c2n(cnc1=O)CCc1c-2n(C)c2ccccc12
InChIInChI=1S/C16H15N3O/c1-10-14-15-12(7-8-19(14)9-17-16(10)20)11-5-3-4-6-13(11)18(15)2/h3-6,9H,7-8H2,1-2H3
InChIKeyIHDUKQHXMXEXSH-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.27
Rot. Bonds

About 3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one

3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one (PubChem CID 71148065) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one.

Molecular Properties

Compound Name3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one
PubChem CID71148065
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one
SMILESCc1c2n(cnc1=O)CCc1c-2n(C)c2ccccc12
InChIInChI=1S/C16H15N3O/c1-10-14-15-12(7-8-19(14)9-17-16(10)20)11-5-3-4-6-13(11)18(15)2/h3-6,9H,7-8H2,1-2H3
InChIKeyIHDUKQHXMXEXSH-UHFFFAOYSA-N
XLogP2.27
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-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-chloro-17-methyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,11,13,15-hexaen-6-one
CID 24952622
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
(13E)-3,24-dimethyl-3,24,30-triazahexacyclo[24.3.1.02,10.04,9.017,25.018,23]triaconta-1(30),2(10),4,6,8,13,17(25),18,20,22,26,28-dodecaene
CID 177470984
1-(4-methylphenyl)quinazolin-4-one
CID 13402150
16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one
CID 72724645
2,9-dimethyl-3,4-dihydrocarbazole
CID 149373411
3-(1H-imidazol-2-ylmethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one
CID 22400310
1-(3-chloro-2-methylphenyl)quinazolin-4-one
CID 901936
1-methyl-1,4-benzodiazepine-2,5-dione
CID 22316535
(13E)-3,24-dimethyl-29-thia-3,24-diazahexacyclo[24.2.1.02,10.04,9.017,25.018,23]nonacosa-1(28),2(10),4,6,8,13,17(25),18,20,22,26-undecaene
CID 122205076
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
(13E)-3,24-dimethyl-3,24,35,38-tetrazaoctacyclo[24.8.4.02,10.04,9.017,25.018,23.029,37.032,36]octatriaconta-1(35),2(10),4,6,8,13,17(25),18,20,22,26(38),27,29(37),30,32(36),33-hexadecaene
CID 132543118

Frequently Asked Questions

What is the IUPAC name of 3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one?
The IUPAC name of 3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one (CID 71148065) is 3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one.
What is the SMILES notation for 3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one?
The canonical SMILES for 3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one is Cc1c2n(cnc1=O)CCc1c-2n(C)c2ccccc12.
What is the InChIKey of 3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one?
The InChIKey is IHDUKQHXMXEXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-14-15-12(7-8-19(14)9-17-16(10)20)11-5-3-4-6-13(11)18(15)2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one?
3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,17-dimethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,5,11,13,15-hexaen-4-one is sourced from PubChem (CID 71148065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).