N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide

C21H19FN4O2 — CID 44625494

IUPACN-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide
SMILESCOc1cc(F)c2[nH]c(C)c(CCNC(=O)c3ccc4nccnc4c3)c2c1
InChIInChI=1S/C21H19FN4O2/c1-12-15(16-10-14(28-2)11-17(22)20(16)26-12)5-6-25-21(27)13-3-4-18-19(9-13)24-8-7-23-18/h3-4,7-11,26H,5-6H2,1-2H3,(H,25,27)
InChIKeyBEESPPJTSNNKRG-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.54
Rot. Bonds5

About N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide

N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide (PubChem CID 44625494) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide
PubChem CID44625494
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide
SMILESCOc1cc(F)c2[nH]c(C)c(CCNC(=O)c3ccc4nccnc4c3)c2c1
InChIInChI=1S/C21H19FN4O2/c1-12-15(16-10-14(28-2)11-17(22)20(16)26-12)5-6-25-21(27)13-3-4-18-19(9-13)24-8-7-23-18/h3-4,7-11,26H,5-6H2,1-2H3,(H,25,27)
InChIKeyBEESPPJTSNNKRG-UHFFFAOYSA-N
XLogP3.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide (CID 44625494) is N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide is COc1cc(F)c2[nH]c(C)c(CCNC(=O)c3ccc4nccnc4c3)c2c1.
What is the InChIKey of N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is BEESPPJTSNNKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-12-15(16-10-14(28-2)11-17(22)20(16)26-12)5-6-25-21(27)13-3-4-18-19(9-13)24-8-7-23-18/h3-4,7-11,26H,5-6H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide?
N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 44625494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).