methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate

C59H65N7O10 — CID 91606571

IUPACmethyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate
SMILESC/C=C/c1cc2c(C(=O)OC)cccc2n1CC.CCn1c(CCN)cc2c(C(=O)OC)cccc21.CCn1c2c(c3c(C(=O)OC)cccc31)C(=O)NCC2.CCn1c2cccc(C(=O)OC)c2c2c(=O)[nH]ccc21
InChIInChI=1S/C15H16N2O3.C15H14N2O3.C15H17NO2.C14H18N2O2/c2*1-3-17-10-6-4-5-9(15(19)20-2)12(10)13-11(17)7-8-16-14(13)18;1-4-7-11-10-13-12(15(17)18-3)8-6-9-14(13)16(11)5-2;1-3-16-10(7-8-15)9-12-11(14(17)18-2)5-4-6-13(12)16/h4-6H,3,7-8H2,1-2H3,(H,16,18);4-8H,3H2,1-2H3,(H,16,18);4,6-10H,5H2,1-3H3;4-6,9H,3,7-8,15H2,1-2H3/b;;7-4+;
InChIKeyXSVFQPGEBVCJFK-PDEMIRCTSA-N
MW1032.21 g/mol
LogP9.45
Rot. Bonds11

About methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate

methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate (PubChem CID 91606571) has the molecular formula C59H65N7O10 and a molecular weight of 1032.21 g/mol. Its IUPAC name is methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate
PubChem CID91606571
Molecular FormulaC59H65N7O10
Molecular Weight1032.21 g/mol
Exact Mass1031.48
IUPAC Namemethyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate
SMILESC/C=C/c1cc2c(C(=O)OC)cccc2n1CC.CCn1c(CCN)cc2c(C(=O)OC)cccc21.CCn1c2c(c3c(C(=O)OC)cccc31)C(=O)NCC2.CCn1c2cccc(C(=O)OC)c2c2c(=O)[nH]ccc21
InChIInChI=1S/C15H16N2O3.C15H14N2O3.C15H17NO2.C14H18N2O2/c2*1-3-17-10-6-4-5-9(15(19)20-2)12(10)13-11(17)7-8-16-14(13)18;1-4-7-11-10-13-12(15(17)18-3)8-6-9-14(13)16(11)5-2;1-3-16-10(7-8-15)9-12-11(14(17)18-2)5-4-6-13(12)16/h4-6H,3,7-8H2,1-2H3,(H,16,18);4-8H,3H2,1-2H3,(H,16,18);4,6-10H,5H2,1-3H3;4-6,9H,3,7-8,15H2,1-2H3/b;;7-4+;
InChIKeyXSVFQPGEBVCJFK-PDEMIRCTSA-N
XLogP9.45
TPSA212.90 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001032.21
LogP ≤ 59.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate?
The IUPAC name of methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate (CID 91606571) is methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate?
The canonical SMILES for methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate is C/C=C/c1cc2c(C(=O)OC)cccc2n1CC.CCn1c(CCN)cc2c(C(=O)OC)cccc21.CCn1c2c(c3c(C(=O)OC)cccc31)C(=O)NCC2.CCn1c2cccc(C(=O)OC)c2c2c(=O)[nH]ccc21.
What is the InChIKey of methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate?
The InChIKey is XSVFQPGEBVCJFK-PDEMIRCTSA-N. The full InChI is InChI=1S/C15H16N2O3.C15H14N2O3.C15H17NO2.C14H18N2O2/c2*1-3-17-10-6-4-5-9(15(19)20-2)12(10)13-11(17)7-8-16-14(13)18;1-4-7-11-10-13-12(15(17)18-3)8-6-9-14(13)16(11)5-2;1-3-16-10(7-8-15)9-12-11(14(17)18-2)5-4-6-13(12)16/h4-6H,3,7-8H2,1-2H3,(H,16,18);4-8H,3H2,1-2H3,(H,16,18);4,6-10H,5H2,1-3H3;4-6,9H,3,7-8,15H2,1-2H3/b;;7-4+;.
What are the key properties of methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate?
methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate has a molecular weight of 1032.21 g/mol, XLogP of 9.45, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminoethyl)-1-ethylindole-4-carboxylate;methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 5-ethyl-1-oxo-2H-pyrido[4,3-b]indole-9-carboxylate;methyl 1-ethyl-2-[(E)-prop-1-enyl]indole-4-carboxylate is sourced from PubChem (CID 91606571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).