6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline

C24H21N3 — CID 23411133

IUPAC6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCC(C)c1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N3/c1-16(2)18-13-11-17(12-14-18)15-27-22-10-6-3-7-19(22)23-24(27)26-21-9-5-4-8-20(21)25-23/h3-14,16H,15H2,1-2H3
InChIKeyUZKFPUVHGVNNTM-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.91
Rot. Bonds3

About 6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline

6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline (PubChem CID 23411133) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline
PubChem CID23411133
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCC(C)c1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N3/c1-16(2)18-13-11-17(12-14-18)15-27-22-10-6-3-7-19(22)23-24(27)26-21-9-5-4-8-20(21)25-23/h3-14,16H,15H2,1-2H3
InChIKeyUZKFPUVHGVNNTM-UHFFFAOYSA-N
XLogP5.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate
CID 23411168
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
1-indolo[3,2-b]quinoxalin-6-yl-N,N-dimethylmethanamine
CID 5271720
2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 16987223
6-benzyl-9-methylindolo[3,2-b]quinoxaline
CID 753384
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline
CID 4033847
2-(azepan-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18885373
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18878257
6-(4-bromobutyl)indolo[3,2-b]quinoxaline
CID 39071128

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline (CID 23411133) is 6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline is CC(C)c1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1.
What is the InChIKey of 6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline?
The InChIKey is UZKFPUVHGVNNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-16(2)18-13-11-17(12-14-18)15-27-22-10-6-3-7-19(22)23-24(27)26-21-9-5-4-8-20(21)25-23/h3-14,16H,15H2,1-2H3.
What are the key properties of 6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline?
6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline has a molecular weight of 351.45 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 23411133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).