N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine

C19H15BrClN5 — CID 101211910

IUPACN-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3ccc(Cl)cc3nc2Nc2ccc(Br)cc2)n1
InChIInChI=1S/C19H15BrClN5/c1-11-9-12(2)26(25-11)19-18(22-15-6-3-13(20)4-7-15)23-17-10-14(21)5-8-16(17)24-19/h3-10H,1-2H3,(H,22,23)
InChIKeyISKKTLKMBUBZDW-UHFFFAOYSA-N
MW428.72 g/mol
LogP5.59
Rot. Bonds3

About N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine

N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine (PubChem CID 101211910) has the molecular formula C19H15BrClN5 and a molecular weight of 428.72 g/mol. Its IUPAC name is N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
PubChem CID101211910
Molecular FormulaC19H15BrClN5
Molecular Weight428.72 g/mol
Exact Mass427.02
IUPAC NameN-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3ccc(Cl)cc3nc2Nc2ccc(Br)cc2)n1
InChIInChI=1S/C19H15BrClN5/c1-11-9-12(2)26(25-11)19-18(22-15-6-3-13(20)4-7-15)23-17-10-14(21)5-8-16(17)24-19/h3-10H,1-2H3,(H,22,23)
InChIKeyISKKTLKMBUBZDW-UHFFFAOYSA-N
XLogP5.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.72
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The IUPAC name of N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine (CID 101211910) is N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine is Cc1cc(C)n(-c2nc3ccc(Cl)cc3nc2Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The InChIKey is ISKKTLKMBUBZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN5/c1-11-9-12(2)26(25-11)19-18(22-15-6-3-13(20)4-7-15)23-17-10-14(21)5-8-16(17)24-19/h3-10H,1-2H3,(H,22,23).
What are the key properties of N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine has a molecular weight of 428.72 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine is sourced from PubChem (CID 101211910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).