2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide

C26H28N4O2 — CID 53383365

IUPAC2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)C(C1CC1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C26H28N4O2/c1-2-3-8-15-27-25(31)24(17-13-14-17)30-22-12-7-6-11-20(22)29-23(26(30)32)21-16-18-9-4-5-10-19(18)28-21/h4-7,9-12,16-17,24,28H,2-3,8,13-15H2,1H3,(H,27,31)
InChIKeyICCZNCSGBITDGK-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.80
Rot. Bonds8

About 2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide

2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide (PubChem CID 53383365) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide
PubChem CID53383365
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)C(C1CC1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C26H28N4O2/c1-2-3-8-15-27-25(31)24(17-13-14-17)30-22-12-7-6-11-20(22)29-23(26(30)32)21-16-18-9-4-5-10-19(18)28-21/h4-7,9-12,16-17,24,28H,2-3,8,13-15H2,1H3,(H,27,31)
InChIKeyICCZNCSGBITDGK-UHFFFAOYSA-N
XLogP4.80
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide?
The IUPAC name of 2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide (CID 53383365) is 2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide.
What is the SMILES notation for 2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide?
The canonical SMILES for 2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide is CCCCCNC(=O)C(C1CC1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21.
What is the InChIKey of 2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide?
The InChIKey is ICCZNCSGBITDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-2-3-8-15-27-25(31)24(17-13-14-17)30-22-12-7-6-11-20(22)29-23(26(30)32)21-16-18-9-4-5-10-19(18)28-21/h4-7,9-12,16-17,24,28H,2-3,8,13-15H2,1H3,(H,27,31).
What are the key properties of 2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide?
2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide has a molecular weight of 428.54 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide is sourced from PubChem (CID 53383365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).