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

C21H19FN4O3 — CID 91412684

IUPACquinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate
SMILESCOc1cc(F)c2[nH]c(C)c(CCNC(=O)Oc3ccc4nccnc4c3)c2c1
InChIInChI=1S/C21H19FN4O3/c1-12-15(16-9-14(28-2)10-17(22)20(16)26-12)5-6-25-21(27)29-13-3-4-18-19(11-13)24-8-7-23-18/h3-4,7-11,26H,5-6H2,1-2H3,(H,25,27)
InChIKeyFRXDHFLKZQABLB-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.90
Rot. Bonds5

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

quinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate (PubChem CID 91412684) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is quinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namequinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate
PubChem CID91412684
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Namequinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate
SMILESCOc1cc(F)c2[nH]c(C)c(CCNC(=O)Oc3ccc4nccnc4c3)c2c1
InChIInChI=1S/C21H19FN4O3/c1-12-15(16-9-14(28-2)10-17(22)20(16)26-12)5-6-25-21(27)29-13-3-4-18-19(11-13)24-8-7-23-18/h3-4,7-11,26H,5-6H2,1-2H3,(H,25,27)
InChIKeyFRXDHFLKZQABLB-UHFFFAOYSA-N
XLogP3.90
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 quinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of quinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate (CID 91412684) is quinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for quinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for quinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate is COc1cc(F)c2[nH]c(C)c(CCNC(=O)Oc3ccc4nccnc4c3)c2c1.
What is the InChIKey of quinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is FRXDHFLKZQABLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-12-15(16-9-14(28-2)10-17(22)20(16)26-12)5-6-25-21(27)29-13-3-4-18-19(11-13)24-8-7-23-18/h3-4,7-11,26H,5-6H2,1-2H3,(H,25,27).
What are the key properties of quinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate?
quinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 394.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-6-yl N-[2-(7-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 91412684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).