N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide

C26H20N2O — CID 76533383

IUPACN-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide
SMILESO=C(C=CC=C(c1ccccc1)c1ccccc1)Nc1cccc2cnccc12
InChIInChI=1S/C26H20N2O/c29-26(28-25-15-7-13-22-19-27-18-17-24(22)25)16-8-14-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H,(H,28,29)
InChIKeyJWMRXTHMUHGCLP-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.86
Rot. Bonds5

About N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide

N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide (PubChem CID 76533383) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide
PubChem CID76533383
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC NameN-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide
SMILESO=C(C=CC=C(c1ccccc1)c1ccccc1)Nc1cccc2cnccc12
InChIInChI=1S/C26H20N2O/c29-26(28-25-15-7-13-22-19-27-18-17-24(22)25)16-8-14-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H,(H,28,29)
InChIKeyJWMRXTHMUHGCLP-UHFFFAOYSA-N
XLogP5.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-isoquinolin-5-yl-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 57386569
N-isoquinolin-5-yl-5-phenyl-5-[4-(trifluoromethylsulfonyl)phenyl]penta-2,4-dienamide
CID 90900061
5,5-bis(4-cyanophenyl)-N-isoquinolin-5-ylpenta-2,4-dienamide
CID 91311613
(2E)-N-isoquinolin-5-yl-5,5-bis(3-nitrophenyl)penta-2,4-dienamide
CID 87599291
(2E,4E)-5-(4-aminophenyl)-N-isoquinolin-5-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87600173
(2E,4E)-5-[4-(2-hydroxypropan-2-yl)phenyl]-N-isoquinolin-5-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 86633267
N-isoquinolin-5-yl-5-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 76533584
(2E,4Z)-5-[4-(2-aminoethoxy)phenyl]-N-isoquinolin-5-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87598148
(2E,4E)-N-isoquinolin-5-yl-5-(5-methylfuran-2-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87598371
N-isoquinolin-5-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 76534089
2-anilino-N-isoquinolin-5-ylacetamide
CID 60860768
(2S)-2-amino-N-isoquinolin-5-yl-2-phenylacetamide
CID 104897242

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide?
The IUPAC name of N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide (CID 76533383) is N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide.
What is the SMILES notation for N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide?
The canonical SMILES for N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide is O=C(C=CC=C(c1ccccc1)c1ccccc1)Nc1cccc2cnccc12.
What is the InChIKey of N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide?
The InChIKey is JWMRXTHMUHGCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c29-26(28-25-15-7-13-22-19-27-18-17-24(22)25)16-8-14-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H,(H,28,29).
What are the key properties of N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide?
N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide has a molecular weight of 376.46 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-5,5-diphenylpenta-2,4-dienamide is sourced from PubChem (CID 76533383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).