10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide

C23H20N4O3 — CID 140656063

IUPAC10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide
SMILESNC(=O)c1ccccc2nc3ccccc3cc2cccccccoo[nH]nc1
InChIInChI=1S/C23H20N4O3/c24-23(28)20-12-6-8-14-21-18(16-19-11-5-7-13-22(19)26-21)10-4-2-1-3-9-15-29-30-27-25-17-20/h1-17,27H,(H2,24,28)/b3-1-,4-2-,8-6-,15-9-,18-10-,20-12+,21-14+,25-17-
InChIKeyRGNTWMQAACEXIU-FUVPHZLESA-N
MW400.44 g/mol
LogP4.89
Rot. Bonds1

About 10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide

10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide (PubChem CID 140656063) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide.

Molecular Properties

Compound Name10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide
PubChem CID140656063
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide
SMILESNC(=O)c1ccccc2nc3ccccc3cc2cccccccoo[nH]nc1
InChIInChI=1S/C23H20N4O3/c24-23(28)20-12-6-8-14-21-18(16-19-11-5-7-13-22(19)26-21)10-4-2-1-3-9-15-29-30-27-25-17-20/h1-17,27H,(H2,24,28)/b3-1-,4-2-,8-6-,15-9-,18-10-,20-12+,21-14+,25-17-
InChIKeyRGNTWMQAACEXIU-FUVPHZLESA-N
XLogP4.89
TPSA110.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide?
The IUPAC name of 10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide (CID 140656063) is 10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide.
What is the SMILES notation for 10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide?
The canonical SMILES for 10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide is NC(=O)c1ccccc2nc3ccccc3cc2cccccccoo[nH]nc1.
What is the InChIKey of 10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide?
The InChIKey is RGNTWMQAACEXIU-FUVPHZLESA-N. The full InChI is InChI=1S/C23H20N4O3/c24-23(28)20-12-6-8-14-21-18(16-19-11-5-7-13-22(19)26-21)10-4-2-1-3-9-15-29-30-27-25-17-20/h1-17,27H,(H2,24,28)/b3-1-,4-2-,8-6-,15-9-,18-10-,20-12+,21-14+,25-17-.
What are the key properties of 10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide?
10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.89, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dioxa-8,9,27-triazatricyclo[17.8.0.021,26]heptacosa-1,3,5,7,12,14,16,18,20,22,24,26-dodecaene-6-carboxamide is sourced from PubChem (CID 140656063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).