3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide

C24H27N5O — CID 22585960

IUPAC3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide
SMILESCN1CCN(c2nc3ccccc3nc2C(=O)Nc2cccc3c2CCCC3)CC1
InChIInChI=1S/C24H27N5O/c1-28-13-15-29(16-14-28)23-22(25-20-10-4-5-11-21(20)26-23)24(30)27-19-12-6-8-17-7-2-3-9-18(17)19/h4-6,8,10-12H,2-3,7,9,13-16H2,1H3,(H,27,30)
InChIKeyOFNDLQJOIFUOBD-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.51
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide

3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide (PubChem CID 22585960) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide
PubChem CID22585960
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide
SMILESCN1CCN(c2nc3ccccc3nc2C(=O)Nc2cccc3c2CCCC3)CC1
InChIInChI=1S/C24H27N5O/c1-28-13-15-29(16-14-28)23-22(25-20-10-4-5-11-21(20)26-23)24(30)27-19-12-6-8-17-7-2-3-9-18(17)19/h4-6,8,10-12H,2-3,7,9,13-16H2,1H3,(H,27,30)
InChIKeyOFNDLQJOIFUOBD-UHFFFAOYSA-N
XLogP3.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365217
N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365230
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-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46249402
N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365196
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365165
4-(benzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18225982
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
5-N-(1H-benzimidazol-2-yl)-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984746
N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-3-carboxamide
CID 18169235

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide (CID 22585960) is 3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide is CN1CCN(c2nc3ccccc3nc2C(=O)Nc2cccc3c2CCCC3)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide?
The InChIKey is OFNDLQJOIFUOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-28-13-15-29(16-14-28)23-22(25-20-10-4-5-11-21(20)26-23)24(30)27-19-12-6-8-17-7-2-3-9-18(17)19/h4-6,8,10-12H,2-3,7,9,13-16H2,1H3,(H,27,30).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide?
3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 22585960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).