10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol

C21H18N2O — CID 44816929

IUPAC10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol
SMILESOC1CCc2ncc3c(c21)c1ccccc1n3Cc1ccccc1
InChIInChI=1S/C21H18N2O/c24-19-11-10-16-21(19)20-15-8-4-5-9-17(15)23(18(20)12-22-16)13-14-6-2-1-3-7-14/h1-9,12,19,24H,10-11,13H2
InChIKeyZZZJHRLERMTLCW-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.22
Rot. Bonds2

About 10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol

10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol (PubChem CID 44816929) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol.

Molecular Properties

Compound Name10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol
PubChem CID44816929
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol
SMILESOC1CCc2ncc3c(c21)c1ccccc1n3Cc1ccccc1
InChIInChI=1S/C21H18N2O/c24-19-11-10-16-21(19)20-15-8-4-5-9-17(15)23(18(20)12-22-16)13-14-6-2-1-3-7-14/h1-9,12,19,24H,10-11,13H2
InChIKeyZZZJHRLERMTLCW-UHFFFAOYSA-N
XLogP4.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol?
The IUPAC name of 10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol (CID 44816929) is 10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol.
What is the SMILES notation for 10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol?
The canonical SMILES for 10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol is OC1CCc2ncc3c(c21)c1ccccc1n3Cc1ccccc1.
What is the InChIKey of 10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol?
The InChIKey is ZZZJHRLERMTLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c24-19-11-10-16-21(19)20-15-8-4-5-9-17(15)23(18(20)12-22-16)13-14-6-2-1-3-7-14/h1-9,12,19,24H,10-11,13H2.
What are the key properties of 10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol?
10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol has a molecular weight of 314.39 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol is sourced from PubChem (CID 44816929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).