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-25-carboxamide

C23H20N4O3 — CID 140548769

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-25-carboxamide
SMILESNC(=O)c1cccc2cc3cccccccoo[nH]nccccccc3nc12
InChIInChI=1S/C23H20N4O3/c24-23(28)20-13-10-12-19-17-18-11-6-2-1-5-9-16-29-30-27-25-15-8-4-3-7-14-21(18)26-22(19)20/h1-17,27H,(H2,24,28)/b5-1-,6-2-,7-3-,8-4-,16-9-,18-11-,21-14+,25-15-
InChIKeyYTBIOXOLBRFIOW-JLSDYIFBSA-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-25-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-25-carboxamide (PubChem CID 140548769) 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-25-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-25-carboxamide
PubChem CID140548769
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-25-carboxamide
SMILESNC(=O)c1cccc2cc3cccccccoo[nH]nccccccc3nc12
InChIInChI=1S/C23H20N4O3/c24-23(28)20-13-10-12-19-17-18-11-6-2-1-5-9-16-29-30-27-25-15-8-4-3-7-14-21(18)26-22(19)20/h1-17,27H,(H2,24,28)/b5-1-,6-2-,7-3-,8-4-,16-9-,18-11-,21-14+,25-15-
InChIKeyYTBIOXOLBRFIOW-JLSDYIFBSA-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-25-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acridine-4-carboxamide
CID 3025721
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
6-fluoroacridine-4-carboxamide
CID 174361752
6-bromoacridine-4-carboxamide
CID 174344835
phenazine-1-carboxamide
CID 141278918
6-(trifluoromethyl)acridine-4-carboxamide
CID 174361443
5-bromoacridine-4-carboxamide
CID 174361134
acridine-1-carbothioamide
CID 154008733
1,2-dioxa-3,4,5-triazacyclononadeca-4,6,8,10,12,14,16,18-octaene-8-carboxamide
CID 87195407
acridin-4-yl(imidazol-1-yl)methanone
CID 10849851
2-phenylquinoline-3-carboxamide
CID 22159420
2,3-diphenylquinoline-8-carboxamide
CID 174821968

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-25-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-25-carboxamide (CID 140548769) 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-25-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-25-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-25-carboxamide is NC(=O)c1cccc2cc3cccccccoo[nH]nccccccc3nc12.
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-25-carboxamide?
The InChIKey is YTBIOXOLBRFIOW-JLSDYIFBSA-N. The full InChI is InChI=1S/C23H20N4O3/c24-23(28)20-13-10-12-19-17-18-11-6-2-1-5-9-16-29-30-27-25-15-8-4-3-7-14-21(18)26-22(19)20/h1-17,27H,(H2,24,28)/b5-1-,6-2-,7-3-,8-4-,16-9-,18-11-,21-14+,25-15-.
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-25-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-25-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-25-carboxamide is sourced from PubChem (CID 140548769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).