10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one

C17H15N5O2 — CID 155534100

IUPAC10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCOc2ccccc21
InChIInChI=1S/C17H15N5O2/c23-17-12-5-1-2-7-14(12)24-10-4-9-22-11-18-21-16(22)13-6-3-8-15(19-13)20-17/h1-3,5-8,11H,4,9-10H2,(H,19,20,23)
InChIKeyZWAJXTZDBJPROT-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.37
Rot. Bonds

About 10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one

10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one (PubChem CID 155534100) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one.

Molecular Properties

Compound Name10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one
PubChem CID155534100
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCOc2ccccc21
InChIInChI=1S/C17H15N5O2/c23-17-12-5-1-2-7-14(12)24-10-4-9-22-11-18-21-16(22)13-6-3-8-15(19-13)20-17/h1-3,5-8,11H,4,9-10H2,(H,19,20,23)
InChIKeyZWAJXTZDBJPROT-UHFFFAOYSA-N
XLogP2.37
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one?
The IUPAC name of 10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one (CID 155534100) is 10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one.
What is the SMILES notation for 10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one?
The canonical SMILES for 10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one is O=C1Nc2cccc(n2)-c2nncn2CCCOc2ccccc21.
What is the InChIKey of 10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one?
The InChIKey is ZWAJXTZDBJPROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-17-12-5-1-2-7-14(12)24-10-4-9-22-11-18-21-16(22)13-6-3-8-15(19-13)20-17/h1-3,5-8,11H,4,9-10H2,(H,19,20,23).
What are the key properties of 10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one?
10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one has a molecular weight of 321.34 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11,13,15,19,21-octaen-17-one is sourced from PubChem (CID 155534100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).