6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione

C23H26N2O5 — CID 101109209

IUPAC6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1CCCCCO)N(CCCCCO)C3=O
InChIInChI=1S/C23H26N2O5/c26-13-5-1-3-11-24-18-10-9-16-19-15(7-8-17(20(18)19)21(24)28)22(29)25(23(16)30)12-4-2-6-14-27/h7-10,26-27H,1-6,11-14H2
InChIKeyQYWPNVRSPSKXMW-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.72
Rot. Bonds10

About 6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione

6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione (PubChem CID 101109209) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione.

Molecular Properties

Compound Name6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione
PubChem CID101109209
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1CCCCCO)N(CCCCCO)C3=O
InChIInChI=1S/C23H26N2O5/c26-13-5-1-3-11-24-18-10-9-16-19-15(7-8-17(20(18)19)21(24)28)22(29)25(23(16)30)12-4-2-6-14-27/h7-10,26-27H,1-6,11-14H2
InChIKeyQYWPNVRSPSKXMW-UHFFFAOYSA-N
XLogP2.72
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione?
The IUPAC name of 6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione (CID 101109209) is 6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione.
What is the SMILES notation for 6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione?
The canonical SMILES for 6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione is O=C1c2ccc3c4c(ccc(c24)C(=O)N1CCCCCO)N(CCCCCO)C3=O.
What is the InChIKey of 6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione?
The InChIKey is QYWPNVRSPSKXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c26-13-5-1-3-11-24-18-10-9-16-19-15(7-8-17(20(18)19)21(24)28)22(29)25(23(16)30)12-4-2-6-14-27/h7-10,26-27H,1-6,11-14H2.
What are the key properties of 6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione?
6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione has a molecular weight of 410.47 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(5-hydroxypentyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione is sourced from PubChem (CID 101109209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).