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

C20H18N4O — CID 23724399

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C20H18N4O/c1-13-15(16-4-2-3-5-17(16)24-13)8-9-23-20(25)14-6-7-18-19(12-14)22-11-10-21-18/h2-7,10-12,24H,8-9H2,1H3,(H,23,25)
InChIKeySGRUUZBQLLBWFS-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.39
Rot. Bonds4

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

N-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide (PubChem CID 23724399) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide
PubChem CID23724399
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C20H18N4O/c1-13-15(16-4-2-3-5-17(16)24-13)8-9-23-20(25)14-6-7-18-19(12-14)22-11-10-21-18/h2-7,10-12,24H,8-9H2,1H3,(H,23,25)
InChIKeySGRUUZBQLLBWFS-UHFFFAOYSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide (CID 23724399) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is SGRUUZBQLLBWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-15(16-4-2-3-5-17(16)24-13)8-9-23-20(25)14-6-7-18-19(12-14)22-11-10-21-18/h2-7,10-12,24H,8-9H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 23724399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).