(Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide

C19H12N4O3 — CID 17373499

IUPAC(Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide
SMILESN#C/C(=C/c1cnc2ccccc2n1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H12N4O3/c20-9-12(7-14-10-21-15-3-1-2-4-16(15)22-14)19(24)23-13-5-6-17-18(8-13)26-11-25-17/h1-8,10H,11H2,(H,23,24)/b12-7-
InChIKeyYCAZUIWIWJVJBX-GHXNOFRVSA-N
MW344.33 g/mol
LogP2.90
Rot. Bonds3

About (Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide

(Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 17373499) has the molecular formula C19H12N4O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide
PubChem CID17373499
Molecular FormulaC19H12N4O3
Molecular Weight344.33 g/mol
Exact Mass344.09
IUPAC Name(Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide
SMILESN#C/C(=C/c1cnc2ccccc2n1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H12N4O3/c20-9-12(7-14-10-21-15-3-1-2-4-16(15)22-14)19(24)23-13-5-6-17-18(8-13)26-11-25-17/h1-8,10H,11H2,(H,23,24)/b12-7-
InChIKeyYCAZUIWIWJVJBX-GHXNOFRVSA-N
XLogP2.90
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)-N-[4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]phenyl]-2-cyanoprop-2-enamide
CID 139225054
(E)-N-(1,3-benzodioxol-5-yl)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enamide
CID 19629277
(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-pyridin-3-ylprop-2-enamide
CID 112979254
(E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(2,4-diethoxyphenyl)prop-2-enamide
CID 28701335
(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide
CID 689818
(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 2188278
(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-pyridin-2-ylprop-2-enamide
CID 25111369
(E)-N-(1,3-benzodioxol-5-yl)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enamide
CID 17265587
2-cyano-3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 3394809
(E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide
CID 9353235
(E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 112979323
(E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(1-prop-2-enylindol-3-yl)prop-2-enamide
CID 17370849

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide (CID 17373499) is (Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide is N#C/C(=C/c1cnc2ccccc2n1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is YCAZUIWIWJVJBX-GHXNOFRVSA-N. The full InChI is InChI=1S/C19H12N4O3/c20-9-12(7-14-10-21-15-3-1-2-4-16(15)22-14)19(24)23-13-5-6-17-18(8-13)26-11-25-17/h1-8,10H,11H2,(H,23,24)/b12-7-.
What are the key properties of (Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide?
(Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 344.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 17373499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).