3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione

C22H24N4O2 — CID 10571573

IUPAC3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione
SMILESO=C1N2CCN1Cc1cccc(c1)CN1CCN(Cc3cccc(c3)C2)C1=O
InChIInChI=1S/C22H24N4O2/c27-21-23-7-9-25(21)15-19-5-2-6-20(12-19)16-26-10-8-24(22(26)28)14-18-4-1-3-17(11-18)13-23/h1-6,11-12H,7-10,13-16H2
InChIKeyNVVORACPNOMJNM-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.88
Rot. Bonds

About 3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione

3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione (PubChem CID 10571573) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione.

Molecular Properties

Compound Name3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione
PubChem CID10571573
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione
SMILESO=C1N2CCN1Cc1cccc(c1)CN1CCN(Cc3cccc(c3)C2)C1=O
InChIInChI=1S/C22H24N4O2/c27-21-23-7-9-25(21)15-19-5-2-6-20(12-19)16-26-10-8-24(22(26)28)14-18-4-1-3-17(11-18)13-23/h1-6,11-12H,7-10,13-16H2
InChIKeyNVVORACPNOMJNM-UHFFFAOYSA-N
XLogP2.88
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione?
The IUPAC name of 3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione (CID 10571573) is 3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione.
What is the SMILES notation for 3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione?
The canonical SMILES for 3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione is O=C1N2CCN1Cc1cccc(c1)CN1CCN(Cc3cccc(c3)C2)C1=O.
What is the InChIKey of 3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione?
The InChIKey is NVVORACPNOMJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21-23-7-9-25(21)15-19-5-2-6-20(12-19)16-26-10-8-24(22(26)28)14-18-4-1-3-17(11-18)13-23/h1-6,11-12H,7-10,13-16H2.
What are the key properties of 3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione?
3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione has a molecular weight of 376.46 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,14,17-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),8(25),9,11,19,21-hexaene-24,26-dione is sourced from PubChem (CID 10571573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).