13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione

C15H15N3O3 — CID 18794211

IUPAC13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)NC(=O)CC31
InChIInChI=1S/C15H15N3O3/c1-21-8-2-3-11-10(6-8)9-4-5-18-12(14(9)16-11)7-13(19)17-15(18)20/h2-3,6,12,16H,4-5,7H2,1H3,(H,17,19,20)
InChIKeyTUGUUWQKRNNBSQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.72
Rot. Bonds1

About 13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione

13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione (PubChem CID 18794211) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione.

Molecular Properties

Compound Name13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione
PubChem CID18794211
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)NC(=O)CC31
InChIInChI=1S/C15H15N3O3/c1-21-8-2-3-11-10(6-8)9-4-5-18-12(14(9)16-11)7-13(19)17-15(18)20/h2-3,6,12,16H,4-5,7H2,1H3,(H,17,19,20)
InChIKeyTUGUUWQKRNNBSQ-UHFFFAOYSA-N
XLogP1.72
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 122185180
7-methoxy-19-methyl-21-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one
CID 86294105
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CID 139092958
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Frequently Asked Questions

What is the IUPAC name of 13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione?
The IUPAC name of 13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione (CID 18794211) is 13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione.
What is the SMILES notation for 13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione?
The canonical SMILES for 13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione is COc1ccc2[nH]c3c(c2c1)CCN1C(=O)NC(=O)CC31.
What is the InChIKey of 13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione?
The InChIKey is TUGUUWQKRNNBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-8-2-3-11-10(6-8)9-4-5-18-12(14(9)16-11)7-13(19)17-15(18)20/h2-3,6,12,16H,4-5,7H2,1H3,(H,17,19,20).
What are the key properties of 13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione?
13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione has a molecular weight of 285.30 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene-4,6-dione is sourced from PubChem (CID 18794211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).