N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine

C24H23N5 — CID 166787296

IUPACN-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
SMILESC=C(Nc1cc2cc(-c3cncn3C)ccc2cn1)c1ccc2c(c1)CN(C)C2
InChIInChI=1S/C24H23N5/c1-16(17-4-7-20-13-28(2)14-22(20)8-17)27-24-10-21-9-18(5-6-19(21)11-26-24)23-12-25-15-29(23)3/h4-12,15H,1,13-14H2,2-3H3,(H,26,27)
InChIKeyHTWXEFMNLWVPOD-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.66
Rot. Bonds4

About N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine

N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine (PubChem CID 166787296) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
PubChem CID166787296
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC NameN-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
SMILESC=C(Nc1cc2cc(-c3cncn3C)ccc2cn1)c1ccc2c(c1)CN(C)C2
InChIInChI=1S/C24H23N5/c1-16(17-4-7-20-13-28(2)14-22(20)8-17)27-24-10-21-9-18(5-6-19(21)11-26-24)23-12-25-15-29(23)3/h4-12,15H,1,13-14H2,2-3H3,(H,26,27)
InChIKeyHTWXEFMNLWVPOD-UHFFFAOYSA-N
XLogP4.66
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine?
The IUPAC name of N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine (CID 166787296) is N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine?
The canonical SMILES for N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine is C=C(Nc1cc2cc(-c3cncn3C)ccc2cn1)c1ccc2c(c1)CN(C)C2.
What is the InChIKey of N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine?
The InChIKey is HTWXEFMNLWVPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-16(17-4-7-20-13-28(2)14-22(20)8-17)27-24-10-21-9-18(5-6-19(21)11-26-24)23-12-25-15-29(23)3/h4-12,15H,1,13-14H2,2-3H3,(H,26,27).
What are the key properties of N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine?
N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine has a molecular weight of 381.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 166787296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).