N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine

C19H15Cl2N5 — CID 15989729

IUPACN-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H15Cl2N5/c1-11-9-12(2)26(25-11)19-18(22-13-7-8-14(20)15(21)10-13)23-16-5-3-4-6-17(16)24-19/h3-10H,1-2H3,(H,22,23)
InChIKeyNWCGBXMTILMLON-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.48
Rot. Bonds3

About N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine

N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine (PubChem CID 15989729) has the molecular formula C19H15Cl2N5 and a molecular weight of 384.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
PubChem CID15989729
Molecular FormulaC19H15Cl2N5
Molecular Weight384.27 g/mol
Exact Mass383.07
IUPAC NameN-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H15Cl2N5/c1-11-9-12(2)26(25-11)19-18(22-13-7-8-14(20)15(21)10-13)23-16-5-3-4-6-17(16)24-19/h3-10H,1-2H3,(H,22,23)
InChIKeyNWCGBXMTILMLON-UHFFFAOYSA-N
XLogP5.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine 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-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989749
6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine
CID 5300818
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine
CID 15989782
6-chloro-N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 22432171
N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 101211910
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-ethylphenyl)quinoxalin-2-amine
CID 22432192
N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide
CID 46248995
3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate
CID 22090511
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine
CID 22432179
6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine
CID 5300817
4-[[3-(3,4-dichloroanilino)quinoxalin-2-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23824939
4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)phthalazin-1-amine
CID 22433405

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine (CID 15989729) is N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine is Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The InChIKey is NWCGBXMTILMLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5/c1-11-9-12(2)26(25-11)19-18(22-13-7-8-14(20)15(21)10-13)23-16-5-3-4-6-17(16)24-19/h3-10H,1-2H3,(H,22,23).
What are the key properties of N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine has a molecular weight of 384.27 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine is sourced from PubChem (CID 15989729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).