(2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one

C30H25N3O6 — CID 146520775

IUPAC(2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one
SMILESCOc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)c2nc4cc[nH]n4c(=O)c2[C@H]3c2ccccc2)cc1
InChIInChI=1S/C30H25N3O6/c1-36-19-11-9-18(10-12-19)30-25(17-7-5-4-6-8-17)24-27(32-23-13-14-31-33(23)28(24)34)29(30,35)26-21(38-3)15-20(37-2)16-22(26)39-30/h4-16,25,31,35H,1-3H3/t25-,29+,30+/m1/s1
InChIKeyYVOFISUXNCBDCK-CPESWEKQSA-N
MW523.55 g/mol
LogP3.72
Rot. Bonds5

About (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one

(2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one (PubChem CID 146520775) has the molecular formula C30H25N3O6 and a molecular weight of 523.55 g/mol. Its IUPAC name is (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one.

Molecular Properties

Compound Name(2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one
PubChem CID146520775
Molecular FormulaC30H25N3O6
Molecular Weight523.55 g/mol
Exact Mass523.17
IUPAC Name(2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one
SMILESCOc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)c2nc4cc[nH]n4c(=O)c2[C@H]3c2ccccc2)cc1
InChIInChI=1S/C30H25N3O6/c1-36-19-11-9-18(10-12-19)30-25(17-7-5-4-6-8-17)24-27(32-23-13-14-31-33(23)28(24)34)29(30,35)26-21(38-3)15-20(37-2)16-22(26)39-30/h4-16,25,31,35H,1-3H3/t25-,29+,30+/m1/s1
InChIKeyYVOFISUXNCBDCK-CPESWEKQSA-N
XLogP3.72
TPSA107.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.55
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one?
The IUPAC name of (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one (CID 146520775) is (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one.
What is the SMILES notation for (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one?
The canonical SMILES for (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one is COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)c2nc4cc[nH]n4c(=O)c2[C@H]3c2ccccc2)cc1.
What is the InChIKey of (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one?
The InChIKey is YVOFISUXNCBDCK-CPESWEKQSA-N. The full InChI is InChI=1S/C30H25N3O6/c1-36-19-11-9-18(10-12-19)30-25(17-7-5-4-6-8-17)24-27(32-23-13-14-31-33(23)28(24)34)29(30,35)26-21(38-3)15-20(37-2)16-22(26)39-30/h4-16,25,31,35H,1-3H3/t25-,29+,30+/m1/s1.
What are the key properties of (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one?
(2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one has a molecular weight of 523.55 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,15,19-triazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,16,18-hexaen-13-one is sourced from PubChem (CID 146520775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).