4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide

C28H35N7O4S — CID 122645064

IUPAC4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide
SMILESCOc1cc(OC)cc(N(CCNC2CCC(S(N)(=O)=O)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C28H35N7O4S/c1-34-18-19(16-32-34)28-17-31-26-9-6-21(14-27(26)33-28)35(22-12-23(38-2)15-24(13-22)39-3)11-10-30-20-4-7-25(8-5-20)40(29,36)37/h6,9,12-18,20,25,30H,4-5,7-8,10-11H2,1-3H3,(H2,29,36,37)
InChIKeyVOWOYKRLKLYZEI-UHFFFAOYSA-N
MW565.70 g/mol
LogP3.37
Rot. Bonds10

About 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide

4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide (PubChem CID 122645064) has the molecular formula C28H35N7O4S and a molecular weight of 565.70 g/mol. Its IUPAC name is 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide
PubChem CID122645064
Molecular FormulaC28H35N7O4S
Molecular Weight565.70 g/mol
Exact Mass565.25
IUPAC Name4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide
SMILESCOc1cc(OC)cc(N(CCNC2CCC(S(N)(=O)=O)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C28H35N7O4S/c1-34-18-19(16-32-34)28-17-31-26-9-6-21(14-27(26)33-28)35(22-12-23(38-2)15-24(13-22)39-3)11-10-30-20-4-7-25(8-5-20)40(29,36)37/h6,9,12-18,20,25,30H,4-5,7-8,10-11H2,1-3H3,(H2,29,36,37)
InChIKeyVOWOYKRLKLYZEI-UHFFFAOYSA-N
XLogP3.37
TPSA137.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.70
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethoxyphenyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 89447288
N-but-3-ynyl-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
CID 122644046
N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide
CID 67467276
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-6-amine;hydrochloride
CID 54591287
methyl 6-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)hexanoate
CID 156768545
N'-[3,5-bis(trideuteriomethoxy)phenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
CID 169444485
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine
CID 123722363
N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine
CID 122644031
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;hydrochloride
CID 134152555
N-[2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122643971
2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol
CID 89447385
CID 88888571
CID 88888571

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide?
The IUPAC name of 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide (CID 122645064) is 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide.
What is the SMILES notation for 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide?
The canonical SMILES for 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide is COc1cc(OC)cc(N(CCNC2CCC(S(N)(=O)=O)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide?
The InChIKey is VOWOYKRLKLYZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O4S/c1-34-18-19(16-32-34)28-17-31-26-9-6-21(14-27(26)33-28)35(22-12-23(38-2)15-24(13-22)39-3)11-10-30-20-4-7-25(8-5-20)40(29,36)37/h6,9,12-18,20,25,30H,4-5,7-8,10-11H2,1-3H3,(H2,29,36,37).
What are the key properties of 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide?
4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide has a molecular weight of 565.70 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethylamino]cyclohexane-1-sulfonamide is sourced from PubChem (CID 122645064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).