N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide

C22H25N5O — CID 45277387

IUPACN-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide
SMILESCc1ccc(N2CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C22H25N5O/c1-17-6-8-18(9-7-17)27-14-12-26(13-15-27)11-10-23-22(28)21-16-24-19-4-2-3-5-20(19)25-21/h2-9,16H,10-15H2,1H3,(H,23,28)
InChIKeyHKRRXXVVKCZIRC-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.49
Rot. Bonds5

About N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide

N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide (PubChem CID 45277387) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide
PubChem CID45277387
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide
SMILESCc1ccc(N2CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C22H25N5O/c1-17-6-8-18(9-7-17)27-14-12-26(13-15-27)11-10-23-22(28)21-16-24-19-4-2-3-5-20(19)25-21/h2-9,16H,10-15H2,1H3,(H,23,28)
InChIKeyHKRRXXVVKCZIRC-UHFFFAOYSA-N
XLogP2.49
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide (CID 45277387) is N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide is Cc1ccc(N2CCN(CCNC(=O)c3cnc4ccccc4n3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide?
The InChIKey is HKRRXXVVKCZIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-6-8-18(9-7-17)27-14-12-26(13-15-27)11-10-23-22(28)21-16-24-19-4-2-3-5-20(19)25-21/h2-9,16H,10-15H2,1H3,(H,23,28).
What are the key properties of N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide?
N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 45277387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).