6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C28H20N4O4 — CID 102180043

IUPAC6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1CCc1ccncc1)C(=O)N(CCc1ccncc1)C3=O
InChIInChI=1S/C28H20N4O4/c33-25-19-1-2-20-24-22(28(36)32(26(20)34)16-10-18-7-13-30-14-8-18)4-3-21(23(19)24)27(35)31(25)15-9-17-5-11-29-12-6-17/h1-8,11-14H,9-10,15-16H2
InChIKeyHIUAUVNCRQOARZ-UHFFFAOYSA-N
MW476.49 g/mol
LogP3.31
Rot. Bonds6

About 6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 102180043) has the molecular formula C28H20N4O4 and a molecular weight of 476.49 g/mol. Its IUPAC name is 6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID102180043
Molecular FormulaC28H20N4O4
Molecular Weight476.49 g/mol
Exact Mass476.15
IUPAC Name6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1CCc1ccncc1)C(=O)N(CCc1ccncc1)C3=O
InChIInChI=1S/C28H20N4O4/c33-25-19-1-2-20-24-22(28(36)32(26(20)34)16-10-18-7-13-30-14-8-18)4-3-21(23(19)24)27(35)31(25)15-9-17-5-11-29-12-6-17/h1-8,11-14H,9-10,15-16H2
InChIKeyHIUAUVNCRQOARZ-UHFFFAOYSA-N
XLogP3.31
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 102180043) is 6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is O=C1c2ccc3c4c(ccc(c24)C(=O)N1CCc1ccncc1)C(=O)N(CCc1ccncc1)C3=O.
What is the InChIKey of 6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is HIUAUVNCRQOARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O4/c33-25-19-1-2-20-24-22(28(36)32(26(20)34)16-10-18-7-13-30-14-8-18)4-3-21(23(19)24)27(35)31(25)15-9-17-5-11-29-12-6-17/h1-8,11-14H,9-10,15-16H2.
What are the key properties of 6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 476.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(2-pyridin-4-ylethyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 102180043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).