propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate

C25H21N3O2 — CID 23411168

IUPACpropyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate
SMILESCCCOC(=O)c1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H21N3O2/c1-2-15-30-25(29)18-13-11-17(12-14-18)16-28-22-10-6-3-7-19(22)23-24(28)27-21-9-5-4-8-20(21)26-23/h3-14H,2,15-16H2,1H3
InChIKeyBSQCDKXTCITZRJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.35
Rot. Bonds5

About propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate

propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate (PubChem CID 23411168) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate.

Molecular Properties

Compound Namepropyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate
PubChem CID23411168
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Namepropyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate
SMILESCCCOC(=O)c1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H21N3O2/c1-2-15-30-25(29)18-13-11-17(12-14-18)16-28-22-10-6-3-7-19(22)23-24(28)27-21-9-5-4-8-20(21)26-23/h3-14H,2,15-16H2,1H3
InChIKeyBSQCDKXTCITZRJ-UHFFFAOYSA-N
XLogP5.35
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
CID 3488206
6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline
CID 23411133
2-indolo[3,2-b]quinoxalin-6-yl-1-(4-methylphenyl)ethanone
CID 43853120
heptyl 2-amino-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3437518
hexyl 2-amino-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2041444
7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 2001811
1-indolo[3,2-b]quinoxalin-6-yl-N,N-dimethylmethanamine
CID 5271720
propyl 4-[13-[(2S)-butan-2-yl]-14-methyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl]benzoate
CID 2023601
propyl 4-[13-[(2R)-butan-2-yl]-14-methyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl]benzoate
CID 2023602
propyl 4-[13-[(2R)-butan-2-yl]-14-ethyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl]benzoate
CID 40589219
6-(4-bromobutyl)indolo[3,2-b]quinoxaline
CID 39071128
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897

Frequently Asked Questions

What is the IUPAC name of propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate?
The IUPAC name of propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate (CID 23411168) is propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate.
What is the SMILES notation for propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate?
The canonical SMILES for propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate is CCCOC(=O)c1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1.
What is the InChIKey of propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate?
The InChIKey is BSQCDKXTCITZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-2-15-30-25(29)18-13-11-17(12-14-18)16-28-22-10-6-3-7-19(22)23-24(28)27-21-9-5-4-8-20(21)26-23/h3-14H,2,15-16H2,1H3.
What are the key properties of propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate?
propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate has a molecular weight of 395.46 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate is sourced from PubChem (CID 23411168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).