3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide

C29H26FN5O — CID 118463497

IUPAC3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
SMILESCc1cc(C)cc(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C29H26FN5O/c1-18-14-19(2)16-22(15-18)28-27(20-5-8-23(30)9-6-20)34-24-10-7-21(17-25(24)35-28)29(36)33-11-3-4-26-31-12-13-32-26/h5-10,12-17H,3-4,11H2,1-2H3,(H,31,32)(H,33,36)
InChIKeyPKVZATXYAGKLHF-UHFFFAOYSA-N
MW479.56 g/mol
LogP5.81
Rot. Bonds7

About 3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide

3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide (PubChem CID 118463497) has the molecular formula C29H26FN5O and a molecular weight of 479.56 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
PubChem CID118463497
Molecular FormulaC29H26FN5O
Molecular Weight479.56 g/mol
Exact Mass479.21
IUPAC Name3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
SMILESCc1cc(C)cc(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C29H26FN5O/c1-18-14-19(2)16-22(15-18)28-27(20-5-8-23(30)9-6-20)34-24-10-7-21(17-25(24)35-28)29(36)33-11-3-4-26-31-12-13-32-26/h5-10,12-17H,3-4,11H2,1-2H3,(H,31,32)(H,33,36)
InChIKeyPKVZATXYAGKLHF-UHFFFAOYSA-N
XLogP5.81
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-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 3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
The IUPAC name of 3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide (CID 118463497) is 3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide is Cc1cc(C)cc(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
The InChIKey is PKVZATXYAGKLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O/c1-18-14-19(2)16-22(15-18)28-27(20-5-8-23(30)9-6-20)34-24-10-7-21(17-25(24)35-28)29(36)33-11-3-4-26-31-12-13-32-26/h5-10,12-17H,3-4,11H2,1-2H3,(H,31,32)(H,33,36).
What are the key properties of 3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide?
3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 5.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 118463497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).