8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide

C24H24BrN3O4 — CID 129139032

IUPAC8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide
SMILESCN(C)C(=O)C1C(O)C2(O)c3nn(C)cc3OC2(c2ccc(Br)cc2)C1c1ccccc1
InChIInChI=1S/C24H24BrN3O4/c1-27(2)22(30)18-19(14-7-5-4-6-8-14)24(15-9-11-16(25)12-10-15)23(31,21(18)29)20-17(32-24)13-28(3)26-20/h4-13,18-19,21,29,31H,1-3H3
InChIKeyOSPDDQURJOOOIP-UHFFFAOYSA-N
MW498.38 g/mol
LogP2.52
Rot. Bonds3

About 8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide

8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide (PubChem CID 129139032) has the molecular formula C24H24BrN3O4 and a molecular weight of 498.38 g/mol. Its IUPAC name is 8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide.

Molecular Properties

Compound Name8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide
PubChem CID129139032
Molecular FormulaC24H24BrN3O4
Molecular Weight498.38 g/mol
Exact Mass497.10
IUPAC Name8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide
SMILESCN(C)C(=O)C1C(O)C2(O)c3nn(C)cc3OC2(c2ccc(Br)cc2)C1c1ccccc1
InChIInChI=1S/C24H24BrN3O4/c1-27(2)22(30)18-19(14-7-5-4-6-8-14)24(15-9-11-16(25)12-10-15)23(31,21(18)29)20-17(32-24)13-28(3)26-20/h4-13,18-19,21,29,31H,1-3H3
InChIKeyOSPDDQURJOOOIP-UHFFFAOYSA-N
XLogP2.52
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide 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 8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide?
The IUPAC name of 8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide (CID 129139032) is 8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide.
What is the SMILES notation for 8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide?
The canonical SMILES for 8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide is CN(C)C(=O)C1C(O)C2(O)c3nn(C)cc3OC2(c2ccc(Br)cc2)C1c1ccccc1.
What is the InChIKey of 8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide?
The InChIKey is OSPDDQURJOOOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O4/c1-27(2)22(30)18-19(14-7-5-4-6-8-14)24(15-9-11-16(25)12-10-15)23(31,21(18)29)20-17(32-24)13-28(3)26-20/h4-13,18-19,21,29,31H,1-3H3.
What are the key properties of 8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide?
8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide has a molecular weight of 498.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenyl)-1,11-dihydroxy-N,N,4-trimethyl-9-phenyl-7-oxa-3,4-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-10-carboxamide is sourced from PubChem (CID 129139032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).