quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate

C21H20N4O2 — CID 91132976

IUPACquinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate
SMILESCc1[nH]c2c(C)cccc2c1CCNC(=O)Oc1cnc2ccccc2n1
InChIInChI=1S/C21H20N4O2/c1-13-6-5-7-16-15(14(2)24-20(13)16)10-11-22-21(26)27-19-12-23-17-8-3-4-9-18(17)25-19/h3-9,12,24H,10-11H2,1-2H3,(H,22,26)
InChIKeyBNCMQEIQPGASRT-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.06
Rot. Bonds4

About quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate

quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate (PubChem CID 91132976) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namequinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate
PubChem CID91132976
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Namequinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate
SMILESCc1[nH]c2c(C)cccc2c1CCNC(=O)Oc1cnc2ccccc2n1
InChIInChI=1S/C21H20N4O2/c1-13-6-5-7-16-15(14(2)24-20(13)16)10-11-22-21(26)27-19-12-23-17-8-3-4-9-18(17)25-19/h3-9,12,24H,10-11H2,1-2H3,(H,22,26)
InChIKeyBNCMQEIQPGASRT-UHFFFAOYSA-N
XLogP4.06
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.06
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 quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate (CID 91132976) is quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate is Cc1[nH]c2c(C)cccc2c1CCNC(=O)Oc1cnc2ccccc2n1.
What is the InChIKey of quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is BNCMQEIQPGASRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-6-5-7-16-15(14(2)24-20(13)16)10-11-22-21(26)27-19-12-23-17-8-3-4-9-18(17)25-19/h3-9,12,24H,10-11H2,1-2H3,(H,22,26).
What are the key properties of quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate?
quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 360.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-2-yl N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 91132976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).