N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine

C24H25N3 — CID 10021121

IUPACN-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1
InChIInChI=1S/C24H25N3/c1-3-14-26(15-4-2)18-19-9-11-20(12-10-19)23-17-21-7-5-6-8-22(21)24-25-13-16-27(23)24/h3-12,17H,1-2,13-16,18H2
InChIKeyWANZUOVFWFGQCV-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.43
Rot. Bonds7

About N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine

N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 10021121) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID10021121
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC NameN-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1
InChIInChI=1S/C24H25N3/c1-3-14-26(15-4-2)18-19-9-11-20(12-10-19)23-17-21-7-5-6-8-22(21)24-25-13-16-27(23)24/h3-12,17H,1-2,13-16,18H2
InChIKeyWANZUOVFWFGQCV-UHFFFAOYSA-N
XLogP4.43
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 10021121) is N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1.
What is the InChIKey of N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is WANZUOVFWFGQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-3-14-26(15-4-2)18-19-9-11-20(12-10-19)23-17-21-7-5-6-8-22(21)24-25-13-16-27(23)24/h3-12,17H,1-2,13-16,18H2.
What are the key properties of N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 355.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydroimidazo[2,1-a]isoquinolin-5-yl)phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 10021121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).