8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide

C26H25N7OS — CID 44515979

IUPAC8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
SMILESCN1CCN(Cc2cnc(NC(=O)c3ccc(-c4csc5ccccc45)c4nccnc34)[nH]2)CC1
InChIInChI=1S/C26H25N7OS/c1-32-10-12-33(13-11-32)15-17-14-29-26(30-17)31-25(34)20-7-6-19(23-24(20)28-9-8-27-23)21-16-35-22-5-3-2-4-18(21)22/h2-9,14,16H,10-13,15H2,1H3,(H2,29,30,31,34)
InChIKeyQUXHWYCXDRREGL-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.23
Rot. Bonds5

About 8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide

8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide (PubChem CID 44515979) has the molecular formula C26H25N7OS and a molecular weight of 483.60 g/mol. Its IUPAC name is 8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
PubChem CID44515979
Molecular FormulaC26H25N7OS
Molecular Weight483.60 g/mol
Exact Mass483.18
IUPAC Name8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
SMILESCN1CCN(Cc2cnc(NC(=O)c3ccc(-c4csc5ccccc45)c4nccnc34)[nH]2)CC1
InChIInChI=1S/C26H25N7OS/c1-32-10-12-33(13-11-32)15-17-14-29-26(30-17)31-25(34)20-7-6-19(23-24(20)28-9-8-27-23)21-16-35-22-5-3-2-4-18(21)22/h2-9,14,16H,10-13,15H2,1H3,(H2,29,30,31,34)
InChIKeyQUXHWYCXDRREGL-UHFFFAOYSA-N
XLogP4.23
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide?
The IUPAC name of 8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide (CID 44515979) is 8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for 8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide?
The canonical SMILES for 8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide is CN1CCN(Cc2cnc(NC(=O)c3ccc(-c4csc5ccccc45)c4nccnc34)[nH]2)CC1.
What is the InChIKey of 8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide?
The InChIKey is QUXHWYCXDRREGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7OS/c1-32-10-12-33(13-11-32)15-17-14-29-26(30-17)31-25(34)20-7-6-19(23-24(20)28-9-8-27-23)21-16-35-22-5-3-2-4-18(21)22/h2-9,14,16H,10-13,15H2,1H3,(H2,29,30,31,34).
What are the key properties of 8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide?
8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide has a molecular weight of 483.60 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzothiophen-3-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 44515979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).