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

C21H23N5O2 — CID 46365212

IUPACN-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc2ccccc2nc1N1CCN(C)CC1
InChIInChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)20-19(22-15-7-3-4-8-16(15)23-20)21(27)24-17-9-5-6-10-18(17)28-2/h3-10H,11-14H2,1-2H3,(H,24,27)
InChIKeyQENPNTJULSRGOG-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.64
Rot. Bonds4

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

N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide (PubChem CID 46365212) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
PubChem CID46365212
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc2ccccc2nc1N1CCN(C)CC1
InChIInChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)20-19(22-15-7-3-4-8-16(15)23-20)21(27)24-17-9-5-6-10-18(17)28-2/h3-10H,11-14H2,1-2H3,(H,24,27)
InChIKeyQENPNTJULSRGOG-UHFFFAOYSA-N
XLogP2.64
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate
CID 46365225
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365217
3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide
CID 22585960
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365230
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46365271
N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365196
N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302129
N-(2-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66504208
N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46249402
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 769569

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide (CID 46365212) is N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide is COc1ccccc1NC(=O)c1nc2ccccc2nc1N1CCN(C)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The InChIKey is QENPNTJULSRGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)20-19(22-15-7-3-4-8-16(15)23-20)21(27)24-17-9-5-6-10-18(17)28-2/h3-10H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 46365212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).