N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

C24H23N7O2 — CID 67467643

IUPACN-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(Cc2ncc[nH]2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C24H23N7O2/c1-30-14-16(12-28-30)23-13-27-21-5-4-17(10-22(21)29-23)31(15-24-25-6-7-26-24)18-8-19(32-2)11-20(9-18)33-3/h4-14H,15H2,1-3H3,(H,25,26)
InChIKeyGWCJUEKQORIUTJ-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.11
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 67467643) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
PubChem CID67467643
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC NameN-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(Cc2ncc[nH]2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C24H23N7O2/c1-30-14-16(12-28-30)23-13-27-21-5-4-17(10-22(21)29-23)31(15-24-25-6-7-26-24)18-8-19(32-2)11-20(9-18)33-3/h4-14H,15H2,1-3H3,(H,25,26)
InChIKeyGWCJUEKQORIUTJ-UHFFFAOYSA-N
XLogP4.11
TPSA93.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-(3,5-Dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (CID 67467643) is N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is COc1cc(OC)cc(N(Cc2ncc[nH]2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The InChIKey is GWCJUEKQORIUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-30-14-16(12-28-30)23-13-27-21-5-4-17(10-22(21)29-23)31(15-24-25-6-7-26-24)18-8-19(32-2)11-20(9-18)33-3/h4-14H,15H2,1-3H3,(H,25,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 441.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 67467643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).