(9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione

C29H25N3O4 — CID 92500754

IUPAC(9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
SMILESCOc1ccccc1[C@H]1Oc2ccccc2-n2c(-c3ccc(C)cc3)c3c(=O)n(C)c(=O)n(C)c3c21
InChIInChI=1S/C29H25N3O4/c1-17-13-15-18(16-14-17)24-23-25(30(2)29(34)31(3)28(23)33)26-27(19-9-5-7-11-21(19)35-4)36-22-12-8-6-10-20(22)32(24)26/h5-16,27H,1-4H3/t27-/m1/s1
InChIKeySIKHQDQIFCLTAM-HHHXNRCGSA-N
MW479.54 g/mol
LogP4.49
Rot. Bonds3

About (9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione

(9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione (PubChem CID 92500754) has the molecular formula C29H25N3O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is (9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione.

Molecular Properties

Compound Name(9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
PubChem CID92500754
Molecular FormulaC29H25N3O4
Molecular Weight479.54 g/mol
Exact Mass479.18
IUPAC Name(9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
SMILESCOc1ccccc1[C@H]1Oc2ccccc2-n2c(-c3ccc(C)cc3)c3c(=O)n(C)c(=O)n(C)c3c21
InChIInChI=1S/C29H25N3O4/c1-17-13-15-18(16-14-17)24-23-25(30(2)29(34)31(3)28(23)33)26-27(19-9-5-7-11-21(19)35-4)36-22-12-8-6-10-20(22)32(24)26/h5-16,27H,1-4H3/t27-/m1/s1
InChIKeySIKHQDQIFCLTAM-HHHXNRCGSA-N
XLogP4.49
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione 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 (9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
The IUPAC name of (9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione (CID 92500754) is (9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione.
What is the SMILES notation for (9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
The canonical SMILES for (9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione is COc1ccccc1[C@H]1Oc2ccccc2-n2c(-c3ccc(C)cc3)c3c(=O)n(C)c(=O)n(C)c3c21.
What is the InChIKey of (9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
The InChIKey is SIKHQDQIFCLTAM-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H25N3O4/c1-17-13-15-18(16-14-17)24-23-25(30(2)29(34)31(3)28(23)33)26-27(19-9-5-7-11-21(19)35-4)36-22-12-8-6-10-20(22)32(24)26/h5-16,27H,1-4H3/t27-/m1/s1.
What are the key properties of (9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
(9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione has a molecular weight of 479.54 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-(2-methoxyphenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione is sourced from PubChem (CID 92500754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).