6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione

C30H23NO6S — CID 59241327

IUPAC6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione
SMILESCOc1cccc(Sc2c(O)c3c(=O)n(-c4ccccc4)c4c(c3oc2=O)CCc2cc(OC)ccc2-4)c1
InChIInChI=1S/C30H23NO6S/c1-35-19-9-6-10-21(16-19)38-28-26(32)24-27(37-30(28)34)23-13-11-17-15-20(36-2)12-14-22(17)25(23)31(29(24)33)18-7-4-3-5-8-18/h3-10,12,14-16,32H,11,13H2,1-2H3
InChIKeyCBZGJLDBBIBDMP-UHFFFAOYSA-N
MW525.58 g/mol
LogP5.58
Rot. Bonds5

About 6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione

6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione (PubChem CID 59241327) has the molecular formula C30H23NO6S and a molecular weight of 525.58 g/mol. Its IUPAC name is 6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione.

Molecular Properties

Compound Name6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione
PubChem CID59241327
Molecular FormulaC30H23NO6S
Molecular Weight525.58 g/mol
Exact Mass525.12
IUPAC Name6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione
SMILESCOc1cccc(Sc2c(O)c3c(=O)n(-c4ccccc4)c4c(c3oc2=O)CCc2cc(OC)ccc2-4)c1
InChIInChI=1S/C30H23NO6S/c1-35-19-9-6-10-21(16-19)38-28-26(32)24-27(37-30(28)34)23-13-11-17-15-20(36-2)12-14-22(17)25(23)31(29(24)33)18-7-4-3-5-8-18/h3-10,12,14-16,32H,11,13H2,1-2H3
InChIKeyCBZGJLDBBIBDMP-UHFFFAOYSA-N
XLogP5.58
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.58
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione?
The IUPAC name of 6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione (CID 59241327) is 6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione.
What is the SMILES notation for 6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione?
The canonical SMILES for 6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione is COc1cccc(Sc2c(O)c3c(=O)n(-c4ccccc4)c4c(c3oc2=O)CCc2cc(OC)ccc2-4)c1.
What is the InChIKey of 6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione?
The InChIKey is CBZGJLDBBIBDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO6S/c1-35-19-9-6-10-21(16-19)38-28-26(32)24-27(37-30(28)34)23-13-11-17-15-20(36-2)12-14-22(17)25(23)31(29(24)33)18-7-4-3-5-8-18/h3-10,12,14-16,32H,11,13H2,1-2H3.
What are the key properties of 6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione?
6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione has a molecular weight of 525.58 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione is sourced from PubChem (CID 59241327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).