ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol

C15H22N2O4 — CID 143825662

IUPACethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol
SMILESCCCOc1cc(N)c2[nH]c(C(=O)OCC)cc2c1.CO
InChIInChI=1S/C14H18N2O3.CH4O/c1-3-5-19-10-6-9-7-12(14(17)18-4-2)16-13(9)11(15)8-10;1-2/h6-8,16H,3-5,15H2,1-2H3;2H,1H3
InChIKeyJNGDFUKNAHWEKH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.32
Rot. Bonds5

About ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol

ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol (PubChem CID 143825662) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol.

Molecular Properties

Compound Nameethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol
PubChem CID143825662
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol
SMILESCCCOc1cc(N)c2[nH]c(C(=O)OCC)cc2c1.CO
InChIInChI=1S/C14H18N2O3.CH4O/c1-3-5-19-10-6-9-7-12(14(17)18-4-2)16-13(9)11(15)8-10;1-2/h6-8,16H,3-5,15H2,1-2H3;2H,1H3
InChIKeyJNGDFUKNAHWEKH-UHFFFAOYSA-N
XLogP2.32
TPSA97.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-amino-5-(3-methylsulfanylpropoxy)-1H-indole-2-carboxylate
CID 59135848
ethyl 7-amino-5-(methylsulfanylmethoxy)-1H-indole-2-carboxylate
CID 59428733
ethyl 7-amino-5-(methylsulfanylmethoxy)-1H-indole-2-carboxylate;methane;1H-pyridine-2-thione;tetrahydrate
CID 157146785
ethyl 5-(2-methoxyethoxy)-7-nitro-1H-indole-2-carboxylate
CID 57476190
ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate
CID 168946890
ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate
CID 15231750
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate
CID 164549234
diethyl 7-thia-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11558576
ethyl 5-hydroxy-7-nitro-1H-indole-2-carboxylate
CID 57476196
ethyl 7-prop-2-enyl-1H-indole-2-carboxylate
CID 10398931

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol?
The IUPAC name of ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol (CID 143825662) is ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol.
What is the SMILES notation for ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol?
The canonical SMILES for ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol is CCCOc1cc(N)c2[nH]c(C(=O)OCC)cc2c1.CO.
What is the InChIKey of ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol?
The InChIKey is JNGDFUKNAHWEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.CH4O/c1-3-5-19-10-6-9-7-12(14(17)18-4-2)16-13(9)11(15)8-10;1-2/h6-8,16H,3-5,15H2,1-2H3;2H,1H3.
What are the key properties of ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol?
ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol has a molecular weight of 294.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol is sourced from PubChem (CID 143825662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).