N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline

C21H21N3 — CID 132545400

IUPACN,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline
SMILESCCN(CC)c1ccc(-c2nc3ccccc3n3cccc23)cc1
InChIInChI=1S/C21H21N3/c1-3-23(4-2)17-13-11-16(12-14-17)21-20-10-7-15-24(20)19-9-6-5-8-18(19)22-21/h5-15H,3-4H2,1-2H3
InChIKeyQEZSKHMTMKUZJX-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.00
Rot. Bonds4

About N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline

N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline (PubChem CID 132545400) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline.

Molecular Properties

Compound NameN,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline
PubChem CID132545400
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC NameN,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline
SMILESCCN(CC)c1ccc(-c2nc3ccccc3n3cccc23)cc1
InChIInChI=1S/C21H21N3/c1-3-23(4-2)17-13-11-16(12-14-17)21-20-10-7-15-24(20)19-9-6-5-8-18(19)22-21/h5-15H,3-4H2,1-2H3
InChIKeyQEZSKHMTMKUZJX-UHFFFAOYSA-N
XLogP5.00
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-iodophenyl)pyrrolo[1,2-a]quinoxaline
CID 162419329
4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline
CID 155806764
4-ethylpyrrolo[1,2-a]quinoxaline
CID 102458762
7-methyl-4-phenylpyrrolo[1,2-a]quinoxaline
CID 132523762
4-(4-methylphenyl)-8-pyrrol-1-ylpyrrolo[1,2-a]quinoxaline
CID 56925517
4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline
CID 139637944
1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
CID 132965985
N,N-diethyl-4-quinazolin-2-ylaniline
CID 22356712
4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline
CID 12555114
N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline
CID 3337514
[1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone
CID 170222441
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline?
The IUPAC name of N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline (CID 132545400) is N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline.
What is the SMILES notation for N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline?
The canonical SMILES for N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline is CCN(CC)c1ccc(-c2nc3ccccc3n3cccc23)cc1.
What is the InChIKey of N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline?
The InChIKey is QEZSKHMTMKUZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-3-23(4-2)17-13-11-16(12-14-17)21-20-10-7-15-24(20)19-9-6-5-8-18(19)22-21/h5-15H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline?
N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline has a molecular weight of 315.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline is sourced from PubChem (CID 132545400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).