methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate

C21H22N2O3 — CID 46222735

IUPACmethyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-n1c(cc3ccccc31)C(C)(CCCO)N2
InChIInChI=1S/C21H22N2O3/c1-21(10-5-11-24)19-13-14-6-3-4-7-17(14)23(19)18-12-15(20(25)26-2)8-9-16(18)22-21/h3-4,6-9,12-13,22,24H,5,10-11H2,1-2H3
InChIKeyWPKOOXIWZDUARB-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.83
Rot. Bonds4

About methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate

methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate (PubChem CID 46222735) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate
PubChem CID46222735
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Namemethyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-n1c(cc3ccccc31)C(C)(CCCO)N2
InChIInChI=1S/C21H22N2O3/c1-21(10-5-11-24)19-13-14-6-3-4-7-17(14)23(19)18-12-15(20(25)26-2)8-9-16(18)22-21/h3-4,6-9,12-13,22,24H,5,10-11H2,1-2H3
InChIKeyWPKOOXIWZDUARB-UHFFFAOYSA-N
XLogP3.83
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(6,6-dimethyl-5H-indolo[1,2-a]quinoxalin-1-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylate
CID 102293323
methyl 1-(2-methylpropyl)-2-spiro[5H-indolo[1,2-a]quinoxaline-6,1'-cyclohexane]-1-ylbenzimidazole-5-carboxylate
CID 102293325
methyl 3-(2-fluoro-2-methyl-3H-benzimidazol-1-yl)benzoate
CID 67129076
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 1-benzyl-2-(2-hydroxyethyl)indole-6-carboxylate
CID 90133591
methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate
CID 115096829
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene-11-carboxylate
CID 121386131
methyl (3S)-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-5-carboxylate
CID 125474692
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
methyl pyrrolo[1,2-a]quinoline-2-carboxylate
CID 122223914

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate?
The IUPAC name of methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate (CID 46222735) is methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate.
What is the SMILES notation for methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate?
The canonical SMILES for methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate is COC(=O)c1ccc2c(c1)-n1c(cc3ccccc31)C(C)(CCCO)N2.
What is the InChIKey of methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate?
The InChIKey is WPKOOXIWZDUARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-21(10-5-11-24)19-13-14-6-3-4-7-17(14)23(19)18-12-15(20(25)26-2)8-9-16(18)22-21/h3-4,6-9,12-13,22,24H,5,10-11H2,1-2H3.
What are the key properties of methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate?
methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-hydroxypropyl)-6-methyl-5H-indolo[1,2-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 46222735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).