methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate

C18H21N3O3 — CID 31541090

IUPACmethyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C18H21N3O3/c1-24-18(23)9-3-2-6-12-19-17(22)11-10-14-13-20-15-7-4-5-8-16(15)21-14/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,19,22)/b11-10+
InChIKeyJEWYEMYTZSZTRG-ZHACJKMWSA-N
MW327.38 g/mol
LogP2.49
Rot. Bonds8

About methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate

methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate (PubChem CID 31541090) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate
PubChem CID31541090
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemethyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C18H21N3O3/c1-24-18(23)9-3-2-6-12-19-17(22)11-10-14-13-20-15-7-4-5-8-16(15)21-14/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,19,22)/b11-10+
InChIKeyJEWYEMYTZSZTRG-ZHACJKMWSA-N
XLogP2.49
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate with MolForge

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Related Compounds

(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
N-[4-(4-methylphenoxy)butyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884363
(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide
CID 75533565
methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate
CID 66958409
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 103598498
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543
(E)-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-3-quinoxalin-2-ylprop-2-enamide
CID 134013589
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 71985060

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate?
The IUPAC name of methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate (CID 31541090) is methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate is COC(=O)CCCCCNC(=O)/C=C/c1cnc2ccccc2n1.
What is the InChIKey of methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate?
The InChIKey is JEWYEMYTZSZTRG-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-24-18(23)9-3-2-6-12-19-17(22)11-10-14-13-20-15-7-4-5-8-16(15)21-14/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,19,22)/b11-10+.
What are the key properties of methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate?
methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate has a molecular weight of 327.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate is sourced from PubChem (CID 31541090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).