N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide

C22H20Cl2N6O — CID 4541511

IUPACN-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1
InChIInChI=1S/C22H20Cl2N6O/c1-4-20(31)25-14-5-7-15(8-6-14)26-21-22(30-13(3)9-12(2)29-30)28-19-11-17(24)16(23)10-18(19)27-21/h5-11H,4H2,1-3H3,(H,25,31)(H,26,27)
InChIKeyFOJVQACTVHHLMG-UHFFFAOYSA-N
MW455.35 g/mol
LogP5.83
Rot. Bonds5

About N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide

N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide (PubChem CID 4541511) has the molecular formula C22H20Cl2N6O and a molecular weight of 455.35 g/mol. Its IUPAC name is N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide
PubChem CID4541511
Molecular FormulaC22H20Cl2N6O
Molecular Weight455.35 g/mol
Exact Mass454.11
IUPAC NameN-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1
InChIInChI=1S/C22H20Cl2N6O/c1-4-20(31)25-14-5-7-15(8-6-14)26-21-22(30-13(3)9-12(2)29-30)28-19-11-17(24)16(23)10-18(19)27-21/h5-11H,4H2,1-3H3,(H,25,31)(H,26,27)
InChIKeyFOJVQACTVHHLMG-UHFFFAOYSA-N
XLogP5.83
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide 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 N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide (CID 4541511) is N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1.
What is the InChIKey of N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide?
The InChIKey is FOJVQACTVHHLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O/c1-4-20(31)25-14-5-7-15(8-6-14)26-21-22(30-13(3)9-12(2)29-30)28-19-11-17(24)16(23)10-18(19)27-21/h5-11H,4H2,1-3H3,(H,25,31)(H,26,27).
What are the key properties of N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide?
N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide has a molecular weight of 455.35 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 4541511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).