12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione

C25H24N4O2 — CID 5015183

IUPAC12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
SMILESCCCc1nc2ccccc2n2c(-c3cccc(C)c3)c3c(=O)n(C)c(=O)n(C)c3c12
InChIInChI=1S/C25H24N4O2/c1-5-9-18-22-23-20(24(30)28(4)25(31)27(23)3)21(16-11-8-10-15(2)14-16)29(22)19-13-7-6-12-17(19)26-18/h6-8,10-14H,5,9H2,1-4H3
InChIKeyFUKLWOKMPGQPCO-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.97
Rot. Bonds3

About 12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione

12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione (PubChem CID 5015183) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione.

Molecular Properties

Compound Name12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
PubChem CID5015183
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
SMILESCCCc1nc2ccccc2n2c(-c3cccc(C)c3)c3c(=O)n(C)c(=O)n(C)c3c12
InChIInChI=1S/C25H24N4O2/c1-5-9-18-22-23-20(24(30)28(4)25(31)27(23)3)21(16-11-8-10-15(2)14-16)29(22)19-13-7-6-12-17(19)26-18/h6-8,10-14H,5,9H2,1-4H3
InChIKeyFUKLWOKMPGQPCO-UHFFFAOYSA-N
XLogP3.97
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
The IUPAC name of 12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione (CID 5015183) is 12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione.
What is the SMILES notation for 12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
The canonical SMILES for 12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione is CCCc1nc2ccccc2n2c(-c3cccc(C)c3)c3c(=O)n(C)c(=O)n(C)c3c12.
What is the InChIKey of 12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
The InChIKey is FUKLWOKMPGQPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-5-9-18-22-23-20(24(30)28(4)25(31)27(23)3)21(16-11-8-10-15(2)14-16)29(22)19-13-7-6-12-17(19)26-18/h6-8,10-14H,5,9H2,1-4H3.
What are the key properties of 12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione has a molecular weight of 412.49 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14-dimethyl-17-(3-methylphenyl)-9-propyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione is sourced from PubChem (CID 5015183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).