N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide

C20H20BrN5O — CID 46365217

IUPACN-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
SMILESCN1CCN(c2nc3ccccc3nc2C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C20H20BrN5O/c1-25-10-12-26(13-11-25)19-18(22-16-8-4-5-9-17(16)23-19)20(27)24-15-7-3-2-6-14(15)21/h2-9H,10-13H2,1H3,(H,24,27)
InChIKeyUJNPRCPAKHNSFR-UHFFFAOYSA-N
MW426.32 g/mol
LogP3.40
Rot. Bonds3

About N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide

N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide (PubChem CID 46365217) has the molecular formula C20H20BrN5O and a molecular weight of 426.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
PubChem CID46365217
Molecular FormulaC20H20BrN5O
Molecular Weight426.32 g/mol
Exact Mass425.09
IUPAC NameN-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
SMILESCN1CCN(c2nc3ccccc3nc2C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C20H20BrN5O/c1-25-10-12-26(13-11-25)19-18(22-16-8-4-5-9-17(16)23-19)20(27)24-15-7-3-2-6-14(15)21/h2-9H,10-13H2,1H3,(H,24,27)
InChIKeyUJNPRCPAKHNSFR-UHFFFAOYSA-N
XLogP3.40
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365212
methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate
CID 46365225
N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365196
3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide
CID 22585960
N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365230
N-(2-bromophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253961
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46249402
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365165
2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
CID 71662745
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886350

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide (CID 46365217) is N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide is CN1CCN(c2nc3ccccc3nc2C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The InChIKey is UJNPRCPAKHNSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5O/c1-25-10-12-26(13-11-25)19-18(22-16-8-4-5-9-17(16)23-19)20(27)24-15-7-3-2-6-14(15)21/h2-9H,10-13H2,1H3,(H,24,27).
What are the key properties of N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide has a molecular weight of 426.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 46365217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).