(E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide

C17H18N4O2 — CID 9353270

IUPAC(E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCCOCCCNC(=O)/C(C#N)=C/c1cnc2ccccc2n1
InChIInChI=1S/C17H18N4O2/c1-2-23-9-5-8-19-17(22)13(11-18)10-14-12-20-15-6-3-4-7-16(15)21-14/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,19,22)/b13-10+
InChIKeyQREFXWOBEWWTMY-JLHYYAGUSA-N
MW310.36 g/mol
LogP2.08
Rot. Bonds7

About (E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide

(E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 9353270) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID9353270
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCCOCCCNC(=O)/C(C#N)=C/c1cnc2ccccc2n1
InChIInChI=1S/C17H18N4O2/c1-2-23-9-5-8-19-17(22)13(11-18)10-14-12-20-15-6-3-4-7-16(15)21-14/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,19,22)/b13-10+
InChIKeyQREFXWOBEWWTMY-JLHYYAGUSA-N
XLogP2.08
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-N-(3-methoxypropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 9365550
(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide
CID 2424258
(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2713691
2-cyano-N-(3-ethoxypropyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-enamide
CID 72686315
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108834066
(E)-3-(3H-benzimidazol-5-yl)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide
CID 178189817
(E)-3-(4-acetamidophenyl)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide
CID 7481121
(E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide
CID 9353235
(E)-3-(5-bromothiophen-2-yl)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide
CID 7481140
(E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(3-ethoxypropyl)prop-2-enamide
CID 18283669
(Z)-2-cyano-3-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]-N-(3-ethoxypropyl)prop-2-enamide
CID 99879624
(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(3-ethoxypropyl)prop-2-enamide
CID 7911889

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide (CID 9353270) is (E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide is CCOCCCNC(=O)/C(C#N)=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is QREFXWOBEWWTMY-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-23-9-5-8-19-17(22)13(11-18)10-14-12-20-15-6-3-4-7-16(15)21-14/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,19,22)/b13-10+.
What are the key properties of (E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 310.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 9353270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).