10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene

C23H25N3O2 — CID 101054542

IUPAC10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene
SMILESc1cc2nc(c1)CNc1ccccc1OCCCCOc1ccccc1NC2
InChIInChI=1S/C23H25N3O2/c1-3-12-22-20(10-1)24-16-18-8-7-9-19(26-18)17-25-21-11-2-4-13-23(21)28-15-6-5-14-27-22/h1-4,7-13,24-25H,5-6,14-17H2
InChIKeyYLEUNKHEUXHTAD-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.86
Rot. Bonds

About 10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene

10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene (PubChem CID 101054542) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene.

Molecular Properties

Compound Name10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene
PubChem CID101054542
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene
SMILESc1cc2nc(c1)CNc1ccccc1OCCCCOc1ccccc1NC2
InChIInChI=1S/C23H25N3O2/c1-3-12-22-20(10-1)24-16-18-8-7-9-19(26-18)17-25-21-11-2-4-13-23(21)28-15-6-5-14-27-22/h1-4,7-13,24-25H,5-6,14-17H2
InChIKeyYLEUNKHEUXHTAD-UHFFFAOYSA-N
XLogP4.86
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene with MolForge

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Related Compounds

3,25-dioxa-10,18,31,32-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(31),4,6,8,12(32),13,15,19,21,23,27,29-dodecaene
CID 15413561
2,3,4,5,6,7-hexahydro-1,8-benzodioxecine
CID 13197605
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 3486729
3,4-dihydro-1H-2,5,1-benzodioxazepine
CID 70396307
3,18,23,38-tetraoxa-11,30,44-triazahexacyclo[38.3.1.04,9.012,17.024,29.032,37]tetratetraconta-1(44),4,6,8,10,12,14,16,24,26,28,30,32,34,36,40,42-heptadecaene
CID 101141838
benzene;3,4-dihydro-2H-1,5-benzodioxepine;ethane
CID 159794832
2,5,8-trioxa-15,18,21-triazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 590763
2,7,16,21-tetraoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-8,15-dione
CID 102529624
9,12,15,18,21,24-hexaoxa-2-azatricyclo[23.4.0.03,8]nonacosa-1(29),3,5,7,25,27-hexaene
CID 15468632
2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene
CID 22411101
31,32-dibromo-2,11,17,26-tetraoxatricyclo[25.3.1.112,16]dotriaconta-1(31),12(32),13,15,27,29-hexaene
CID 10555508
6,15,21,30-tetraoxaheptacyclo[14.14.10.632,39.05,31.020,40.033,38.041,46]hexatetraconta-1(31),2,4,16,18,20(40),32,34,36,38,41,43,45-tridecaene
CID 71614401

Frequently Asked Questions

What is the IUPAC name of 10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene?
The IUPAC name of 10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene (CID 101054542) is 10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene.
What is the SMILES notation for 10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene?
The canonical SMILES for 10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene is c1cc2nc(c1)CNc1ccccc1OCCCCOc1ccccc1NC2.
What is the InChIKey of 10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene?
The InChIKey is YLEUNKHEUXHTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-12-22-20(10-1)24-16-18-8-7-9-19(26-18)17-25-21-11-2-4-13-23(21)28-15-6-5-14-27-22/h1-4,7-13,24-25H,5-6,14-17H2.
What are the key properties of 10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene?
10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene has a molecular weight of 375.47 g/mol, XLogP of 4.86, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15-dioxa-3,22,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene is sourced from PubChem (CID 101054542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).