N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline

C26H25N5O — CID 7459680

IUPACN,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline
SMILESCCN(CC)c1ccc(-n2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C26H25N5O/c1-4-30(5-2)19-12-14-20(15-13-19)31-25(18-10-16-21(32-3)17-11-18)29-24-26(31)28-23-9-7-6-8-22(23)27-24/h6-17H,4-5H2,1-3H3
InChIKeyDARPFTURKHNIRQ-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.49
Rot. Bonds6

About N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline

N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline (PubChem CID 7459680) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline
PubChem CID7459680
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC NameN,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline
SMILESCCN(CC)c1ccc(-n2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C26H25N5O/c1-4-30(5-2)19-12-14-20(15-13-19)31-25(18-10-16-21(32-3)17-11-18)29-24-26(31)28-23-9-7-6-8-22(23)27-24/h6-17H,4-5H2,1-3H3
InChIKeyDARPFTURKHNIRQ-UHFFFAOYSA-N
XLogP5.49
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-3-propylimidazo[4,5-b]quinoxaline
CID 663511
3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 921658
N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
CID 146024291
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 2015262
4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 13174862
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline
CID 102458937
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6886541

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline?
The IUPAC name of N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline (CID 7459680) is N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline.
What is the SMILES notation for N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline?
The canonical SMILES for N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline is CCN(CC)c1ccc(-n2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)cc1.
What is the InChIKey of N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline?
The InChIKey is DARPFTURKHNIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-4-30(5-2)19-12-14-20(15-13-19)31-25(18-10-16-21(32-3)17-11-18)29-24-26(31)28-23-9-7-6-8-22(23)27-24/h6-17H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline?
N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline has a molecular weight of 423.52 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline is sourced from PubChem (CID 7459680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).