(E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide

C24H25N3O — CID 34075733

IUPAC(E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(C)c1ccc(CN(C(=O)/C=C/c2cnc3ccccc3n2)C2CC2)cc1
InChIInChI=1S/C24H25N3O/c1-17(2)19-9-7-18(8-10-19)16-27(21-12-13-21)24(28)14-11-20-15-25-22-5-3-4-6-23(22)26-20/h3-11,14-15,17,21H,12-13,16H2,1-2H3/b14-11+
InChIKeyCJMRSPBYTJOIMG-SDNWHVSQSA-N
MW371.48 g/mol
LogP4.96
Rot. Bonds6

About (E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide

(E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 34075733) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is (E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID34075733
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name(E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(C)c1ccc(CN(C(=O)/C=C/c2cnc3ccccc3n2)C2CC2)cc1
InChIInChI=1S/C24H25N3O/c1-17(2)19-9-7-18(8-10-19)16-27(21-12-13-21)24(28)14-11-20-15-25-22-5-3-4-6-23(22)26-20/h3-11,14-15,17,21H,12-13,16H2,1-2H3/b14-11+
InChIKeyCJMRSPBYTJOIMG-SDNWHVSQSA-N
XLogP4.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.96
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide (CID 34075733) is (E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide is CC(C)c1ccc(CN(C(=O)/C=C/c2cnc3ccccc3n2)C2CC2)cc1.
What is the InChIKey of (E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is CJMRSPBYTJOIMG-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H25N3O/c1-17(2)19-9-7-18(8-10-19)16-27(21-12-13-21)24(28)14-11-20-15-25-22-5-3-4-6-23(22)26-20/h3-11,14-15,17,21H,12-13,16H2,1-2H3/b14-11+.
What are the key properties of (E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 371.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 34075733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).