(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide

C24H26N4O — CID 33165528

IUPAC(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(C)(CNC(=O)/C=C/c1cnc2ccccc2n1)N1CCc2ccccc2C1
InChIInChI=1S/C24H26N4O/c1-24(2,28-14-13-18-7-3-4-8-19(18)16-28)17-26-23(29)12-11-20-15-25-21-9-5-6-10-22(21)27-20/h3-12,15H,13-14,16-17H2,1-2H3,(H,26,29)/b12-11+
InChIKeyHUCWPZSCYBFVBR-VAWYXSNFSA-N
MW386.50 g/mol
LogP3.60
Rot. Bonds5

About (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide

(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 33165528) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID33165528
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(C)(CNC(=O)/C=C/c1cnc2ccccc2n1)N1CCc2ccccc2C1
InChIInChI=1S/C24H26N4O/c1-24(2,28-14-13-18-7-3-4-8-19(18)16-28)17-26-23(29)12-11-20-15-25-21-9-5-6-10-22(21)27-20/h3-12,15H,13-14,16-17H2,1-2H3,(H,26,29)/b12-11+
InChIKeyHUCWPZSCYBFVBR-VAWYXSNFSA-N
XLogP3.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2,2-dimethylpropyl)urea
CID 112840167
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 71985060
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide;dihydrochloride
CID 119850045
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
(E)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 27172047
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504846
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]butanamide
CID 119850056
1-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119850054
(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide
CID 75533565

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide (CID 33165528) is (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide is CC(C)(CNC(=O)/C=C/c1cnc2ccccc2n1)N1CCc2ccccc2C1.
What is the InChIKey of (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is HUCWPZSCYBFVBR-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H26N4O/c1-24(2,28-14-13-18-7-3-4-8-19(18)16-28)17-26-23(29)12-11-20-15-25-21-9-5-6-10-22(21)27-20/h3-12,15H,13-14,16-17H2,1-2H3,(H,26,29)/b12-11+.
What are the key properties of (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 386.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 33165528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).