15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one

C17H18N4O3 — CID 3821685

IUPAC15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one
SMILESCOc1cc2c(cc1OC)C1Cc3nc(N)ncc3C(=O)N1CC2
InChIInChI=1S/C17H18N4O3/c1-23-14-5-9-3-4-21-13(10(9)6-15(14)24-2)7-12-11(16(21)22)8-19-17(18)20-12/h5-6,8,13H,3-4,7H2,1-2H3,(H2,18,19,20)
InChIKeyPJKYNFVMJFLWCO-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.37
Rot. Bonds2

About 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one

15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one (PubChem CID 3821685) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one.

Molecular Properties

Compound Name15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one
PubChem CID3821685
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one
SMILESCOc1cc2c(cc1OC)C1Cc3nc(N)ncc3C(=O)N1CC2
InChIInChI=1S/C17H18N4O3/c1-23-14-5-9-3-4-21-13(10(9)6-15(14)24-2)7-12-11(16(21)22)8-19-17(18)20-12/h5-6,8,13H,3-4,7H2,1-2H3,(H2,18,19,20)
InChIKeyPJKYNFVMJFLWCO-UHFFFAOYSA-N
XLogP1.37
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one?
The IUPAC name of 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one (CID 3821685) is 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one.
What is the SMILES notation for 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one?
The canonical SMILES for 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one is COc1cc2c(cc1OC)C1Cc3nc(N)ncc3C(=O)N1CC2.
What is the InChIKey of 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one?
The InChIKey is PJKYNFVMJFLWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-14-5-9-3-4-21-13(10(9)6-15(14)24-2)7-12-11(16(21)22)8-19-17(18)20-12/h5-6,8,13H,3-4,7H2,1-2H3,(H2,18,19,20).
What are the key properties of 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one?
15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one has a molecular weight of 326.36 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-amino-4,5-dimethoxy-10,14,16-triazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12,14,16-hexaen-11-one is sourced from PubChem (CID 3821685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).