N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C26H30N4O4 — CID 46261274

IUPACN-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)CNC(=O)C2(C)Cn3c(cc4ccccc43)C(=O)N2C)cc1
InChIInChI=1S/C26H30N4O4/c1-4-34-20-11-9-18(10-12-20)13-14-27-23(31)16-28-25(33)26(2)17-30-21-8-6-5-7-19(21)15-22(30)24(32)29(26)3/h5-12,15H,4,13-14,16-17H2,1-3H3,(H,27,31)(H,28,33)
InChIKeyGVOGVEZTHJMVFQ-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.36
Rot. Bonds8

About N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 46261274) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID46261274
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)CNC(=O)C2(C)Cn3c(cc4ccccc43)C(=O)N2C)cc1
InChIInChI=1S/C26H30N4O4/c1-4-34-20-11-9-18(10-12-20)13-14-27-23(31)16-28-25(33)26(2)17-30-21-8-6-5-7-19(21)15-22(30)24(32)29(26)3/h5-12,15H,4,13-14,16-17H2,1-3H3,(H,27,31)(H,28,33)
InChIKeyGVOGVEZTHJMVFQ-UHFFFAOYSA-N
XLogP2.36
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 46261274) is N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CCOc1ccc(CCNC(=O)CNC(=O)C2(C)Cn3c(cc4ccccc43)C(=O)N2C)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is GVOGVEZTHJMVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-4-34-20-11-9-18(10-12-20)13-14-27-23(31)16-28-25(33)26(2)17-30-21-8-6-5-7-19(21)15-22(30)24(32)29(26)3/h5-12,15H,4,13-14,16-17H2,1-3H3,(H,27,31)(H,28,33).
What are the key properties of N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 46261274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).