7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene

C23H16N2O — CID 24774105

IUPAC7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
SMILESCOc1ccc2[nH]c3c(ccc4c3ccc3c5ccccc5[nH]c34)c2c1
InChIInChI=1S/C23H16N2O/c1-26-13-6-11-21-19(12-13)18-10-9-16-17(23(18)25-21)8-7-15-14-4-2-3-5-20(14)24-22(15)16/h2-12,24-25H,1H3
InChIKeyLLOPUQSMRBKEJT-UHFFFAOYSA-N
MW336.39 g/mol
LogP6.12
Rot. Bonds1

About 7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene

7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene (PubChem CID 24774105) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
PubChem CID24774105
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
SMILESCOc1ccc2[nH]c3c(ccc4c3ccc3c5ccccc5[nH]c34)c2c1
InChIInChI=1S/C23H16N2O/c1-26-13-6-11-21-19(12-13)18-10-9-16-17(23(18)25-21)8-7-15-14-4-2-3-5-20(14)24-22(15)16/h2-12,24-25H,1H3
InChIKeyLLOPUQSMRBKEJT-UHFFFAOYSA-N
XLogP6.12
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene?
The IUPAC name of 7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene (CID 24774105) is 7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene?
The canonical SMILES for 7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene is COc1ccc2[nH]c3c(ccc4c3ccc3c5ccccc5[nH]c34)c2c1.
What is the InChIKey of 7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene?
The InChIKey is LLOPUQSMRBKEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-26-13-6-11-21-19(12-13)18-10-9-16-17(23(18)25-21)8-7-15-14-4-2-3-5-20(14)24-22(15)16/h2-12,24-25H,1H3.
What are the key properties of 7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene?
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene has a molecular weight of 336.39 g/mol, XLogP of 6.12, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 24774105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).