2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine

C22H18Cl2N4 — CID 46307210

IUPAC2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine
SMILESCc1ccc(Nc2nc3ccccc3nc2Nc2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C22H18Cl2N4/c1-13-7-9-15(11-17(13)23)25-21-22(26-16-10-8-14(2)18(24)12-16)28-20-6-4-3-5-19(20)27-21/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyVXXCFRJKZMZHPO-UHFFFAOYSA-N
MW409.32 g/mol
LogP7.04
Rot. Bonds4

About 2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine

2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine (PubChem CID 46307210) has the molecular formula C22H18Cl2N4 and a molecular weight of 409.32 g/mol. Its IUPAC name is 2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine
PubChem CID46307210
Molecular FormulaC22H18Cl2N4
Molecular Weight409.32 g/mol
Exact Mass408.09
IUPAC Name2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine
SMILESCc1ccc(Nc2nc3ccccc3nc2Nc2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C22H18Cl2N4/c1-13-7-9-15(11-17(13)23)25-21-22(26-16-10-8-14(2)18(24)12-16)28-20-6-4-3-5-19(20)27-21/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyVXXCFRJKZMZHPO-UHFFFAOYSA-N
XLogP7.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N~2~-(3-chloro-4-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2972826
2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine
CID 2227970
3-(Cyclopropylamino)-2-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxaline-6-carbonitrile
CID 90037448
(3-Chlorophenyl)(2-phenylquinazolin-4-yl)amine, chloride
CID 2789498
(3-Chlorophenyl)(2-phenylquinazolin-4-yl)amine
CID 2789499
2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline
CID 24203444
3-benzyl-N-(2-(methylamino)ethyl)quinoxalin-2-amine
CID 44409406
6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine
CID 44531684
3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine
CID 52947508
N-(3-chlorophenyl)-3-methylquinoxalin-2-amine
CID 911234
N,N'-bis(3,4-dimethylphenyl)quinoxaline-2,3-diamine
CID 3823339
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-fluoroquinoxalin-2-amine
CID 90038708

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine (CID 46307210) is 2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine is Cc1ccc(Nc2nc3ccccc3nc2Nc2ccc(C)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine?
The InChIKey is VXXCFRJKZMZHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4/c1-13-7-9-15(11-17(13)23)25-21-22(26-16-10-8-14(2)18(24)12-16)28-20-6-4-3-5-19(20)27-21/h3-12H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine?
2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine has a molecular weight of 409.32 g/mol, XLogP of 7.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3-chloro-4-methylphenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 46307210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).