3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide

C29H27N5O3 — CID 118463545

IUPAC3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide
SMILESCOc1cc(OC)cc(-c2nc3cc(C(=O)NCCCn4ccnc4)ccc3nc2-c2ccccc2)c1
InChIInChI=1S/C29H27N5O3/c1-36-23-15-22(16-24(18-23)37-2)28-27(20-7-4-3-5-8-20)32-25-10-9-21(17-26(25)33-28)29(35)31-11-6-13-34-14-12-30-19-34/h3-5,7-10,12,14-19H,6,11,13H2,1-2H3,(H,31,35)
InChIKeyKQLCTZHMKAWIOJ-UHFFFAOYSA-N
MW493.57 g/mol
LogP5.00
Rot. Bonds9

About 3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide

3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide (PubChem CID 118463545) has the molecular formula C29H27N5O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide
PubChem CID118463545
Molecular FormulaC29H27N5O3
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide
SMILESCOc1cc(OC)cc(-c2nc3cc(C(=O)NCCCn4ccnc4)ccc3nc2-c2ccccc2)c1
InChIInChI=1S/C29H27N5O3/c1-36-23-15-22(16-24(18-23)37-2)28-27(20-7-4-3-5-8-20)32-25-10-9-21(17-26(25)33-28)29(35)31-11-6-13-34-14-12-30-19-34/h3-5,7-10,12,14-19H,6,11,13H2,1-2H3,(H,31,35)
InChIKeyKQLCTZHMKAWIOJ-UHFFFAOYSA-N
XLogP5.00
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide with MolForge

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-phenoxy-3-phenylquinoxaline-6-carboxamide
CID 118454046
2-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide
CID 118463490
2-(4-cyanophenyl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide
CID 118463623
3-(3-cyanophenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide
CID 118463951
N-(3-imidazol-1-ylpropyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-phenylquinoxaline-6-carboxamide
CID 118463507
2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;2-cyano-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide
CID 160963823
2-(3H-benzimidazol-5-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide
CID 123750659
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
2-(cyclobutylamino)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide
CID 118463952
N-(3-imidazol-1-ylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline-6-carboxamide
CID 129245136
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
3-[3-(3-aminophenyl)phenyl]-2-chloro-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide
CID 129258516

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide (CID 118463545) is 3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide is COc1cc(OC)cc(-c2nc3cc(C(=O)NCCCn4ccnc4)ccc3nc2-c2ccccc2)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide?
The InChIKey is KQLCTZHMKAWIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3/c1-36-23-15-22(16-24(18-23)37-2)28-27(20-7-4-3-5-8-20)32-25-10-9-21(17-26(25)33-28)29(35)31-11-6-13-34-14-12-30-19-34/h3-5,7-10,12,14-19H,6,11,13H2,1-2H3,(H,31,35).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide?
3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide is sourced from PubChem (CID 118463545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).