N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine

C22H28N4 — CID 583025

IUPACN,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine
SMILESCCN(CC)C1=NC2Nc3ccccc3N(CC)C2C1c1ccccc1
InChIInChI=1S/C22H28N4/c1-4-25(5-2)22-19(16-12-8-7-9-13-16)20-21(24-22)23-17-14-10-11-15-18(17)26(20)6-3/h7-15,19-21,23H,4-6H2,1-3H3
InChIKeyFEAZVMDHAGNEQZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.17
Rot. Bonds4

About N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine

N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine (PubChem CID 583025) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine.

Molecular Properties

Compound NameN,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine
PubChem CID583025
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC NameN,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine
SMILESCCN(CC)C1=NC2Nc3ccccc3N(CC)C2C1c1ccccc1
InChIInChI=1S/C22H28N4/c1-4-25(5-2)22-19(16-12-8-7-9-13-16)20-21(24-22)23-17-14-10-11-15-18(17)26(20)6-3/h7-15,19-21,23H,4-6H2,1-3H3
InChIKeyFEAZVMDHAGNEQZ-UHFFFAOYSA-N
XLogP4.17
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine?
The IUPAC name of N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine (CID 583025) is N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine.
What is the SMILES notation for N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine?
The canonical SMILES for N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine is CCN(CC)C1=NC2Nc3ccccc3N(CC)C2C1c1ccccc1.
What is the InChIKey of N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine?
The InChIKey is FEAZVMDHAGNEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-4-25(5-2)22-19(16-12-8-7-9-13-16)20-21(24-22)23-17-14-10-11-15-18(17)26(20)6-3/h7-15,19-21,23H,4-6H2,1-3H3.
What are the key properties of N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine?
N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine has a molecular weight of 348.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-triethyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalin-2-amine is sourced from PubChem (CID 583025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).