(9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one

C27H24N2O5 — CID 134377520

IUPAC(9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one
SMILESCOc1ccc([C@@]23Oc4cc(OC)cc(OC)c4C2c2[nH][nH]c(=O)c2[C@H]3c2ccccc2)cc1
InChIInChI=1S/C27H24N2O5/c1-31-17-11-9-16(10-12-17)27-23(15-7-5-4-6-8-15)22-25(28-29-26(22)30)24(27)21-19(33-3)13-18(32-2)14-20(21)34-27/h4-14,23-24H,1-3H3,(H2,28,29,30)/t23-,24?,27+/m1/s1
InChIKeyKZGJZZMFOHSNHT-WRNLUVMSSA-N
MW456.50 g/mol
LogP4.29
Rot. Bonds5

About (9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one

(9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one (PubChem CID 134377520) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is (9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one.

Molecular Properties

Compound Name(9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one
PubChem CID134377520
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name(9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one
SMILESCOc1ccc([C@@]23Oc4cc(OC)cc(OC)c4C2c2[nH][nH]c(=O)c2[C@H]3c2ccccc2)cc1
InChIInChI=1S/C27H24N2O5/c1-31-17-11-9-16(10-12-17)27-23(15-7-5-4-6-8-15)22-25(28-29-26(22)30)24(27)21-19(33-3)13-18(32-2)14-20(21)34-27/h4-14,23-24H,1-3H3,(H2,28,29,30)/t23-,24?,27+/m1/s1
InChIKeyKZGJZZMFOHSNHT-WRNLUVMSSA-N
XLogP4.29
TPSA85.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-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 (9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one?
The IUPAC name of (9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one (CID 134377520) is (9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one.
What is the SMILES notation for (9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one?
The canonical SMILES for (9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one is COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4C2c2[nH][nH]c(=O)c2[C@H]3c2ccccc2)cc1.
What is the InChIKey of (9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one?
The InChIKey is KZGJZZMFOHSNHT-WRNLUVMSSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-31-17-11-9-16(10-12-17)27-23(15-7-5-4-6-8-15)22-25(28-29-26(22)30)24(27)21-19(33-3)13-18(32-2)14-20(21)34-27/h4-14,23-24H,1-3H3,(H2,28,29,30)/t23-,24?,27+/m1/s1.
What are the key properties of (9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one?
(9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one has a molecular weight of 456.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,10R)-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one is sourced from PubChem (CID 134377520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).