(E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide

C19H15Cl2N3O — CID 26622306

IUPAC(E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C19H15Cl2N3O/c1-24(12-13-6-8-15(20)16(21)10-13)19(25)9-7-14-11-22-17-4-2-3-5-18(17)23-14/h2-11H,12H2,1H3/b9-7+
InChIKeyFDQNUMIMMABKIX-VQHVLOKHSA-N
MW372.26 g/mol
LogP4.61
Rot. Bonds4

About (E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide

(E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 26622306) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is (E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
PubChem CID26622306
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC Name(E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C19H15Cl2N3O/c1-24(12-13-6-8-15(20)16(21)10-13)19(25)9-7-14-11-22-17-4-2-3-5-18(17)23-14/h2-11H,12H2,1H3/b9-7+
InChIKeyFDQNUMIMMABKIX-VQHVLOKHSA-N
XLogP4.61
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
CID 35593693
N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 71847025
(E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 34075733
(E)-N-(cyanomethyl)-N-ethyl-3-quinoxalin-2-ylprop-2-enamide
CID 75418095
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 34959262
(E)-3-(1,3-benzoxazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylprop-2-enamide
CID 60533662
1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 84906464
N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 76884248
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(Z)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
CID 98662400
2-(4-chlorophenoxy)ethyl (E)-3-quinoxalin-2-ylprop-2-enoate
CID 2127821
(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78773460

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide (CID 26622306) is (E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is FDQNUMIMMABKIX-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c1-24(12-13-6-8-15(20)16(21)10-13)19(25)9-7-14-11-22-17-4-2-3-5-18(17)23-14/h2-11H,12H2,1H3/b9-7+.
What are the key properties of (E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 372.26 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 26622306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).