(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide

C20H15ClN4O2 — CID 9353213

IUPAC(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cnc2ccccc2n1
InChIInChI=1S/C20H15ClN4O2/c1-12-7-18(19(27-2)9-15(12)21)25-20(26)13(10-22)8-14-11-23-16-5-3-4-6-17(16)24-14/h3-9,11H,1-2H3,(H,25,26)/b13-8+
InChIKeyQYVBZXIJDOOSQS-MDWZMJQESA-N
MW378.82 g/mol
LogP4.15
Rot. Bonds4

About (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 9353213) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide
PubChem CID9353213
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cnc2ccccc2n1
InChIInChI=1S/C20H15ClN4O2/c1-12-7-18(19(27-2)9-15(12)21)25-20(26)13(10-22)8-14-11-23-16-5-3-4-6-17(16)24-14/h3-9,11H,1-2H3,(H,25,26)/b13-8+
InChIKeyQYVBZXIJDOOSQS-MDWZMJQESA-N
XLogP4.15
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-thieno[3,2-b]pyridin-6-ylprop-2-enamide
CID 132968542
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-thieno[3,2-b]pyridin-6-ylprop-2-enamide
CID 126798223
(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 108821564
(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-(4-methoxy-3-methylphenyl)prop-2-enamide
CID 24582706
(Z)-3-(3-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide
CID 2095113
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 3654174
(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 2420204
methyl 4-[(E)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-3-oxoprop-1-enyl]benzoate
CID 7515710
(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 34903705
(Z)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-enamide
CID 47495232
(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
CID 9353212
2-chloro-N-[3-[(E)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-3-oxoprop-1-enyl]phenyl]benzamide
CID 27114950

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide (CID 9353213) is (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide is COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is QYVBZXIJDOOSQS-MDWZMJQESA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-12-7-18(19(27-2)9-15(12)21)25-20(26)13(10-22)8-14-11-23-16-5-3-4-6-17(16)24-14/h3-9,11H,1-2H3,(H,25,26)/b13-8+.
What are the key properties of (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 378.82 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 9353213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).