(Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine

C23H23N3O2S — CID 88990239

IUPAC(Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine
SMILESC=C(S/C(=C\N)c1ncn2c1-c1cc(OC)c(OC)cc1CC2)c1ccccc1
InChIInChI=1S/C23H23N3O2S/c1-15(16-7-5-4-6-8-16)29-21(13-24)22-23-18-12-20(28-3)19(27-2)11-17(18)9-10-26(23)14-25-22/h4-8,11-14H,1,9-10,24H2,2-3H3/b21-13-
InChIKeyRHASAHWUAJTAEA-BKUYFWCQSA-N
MW405.52 g/mol
LogP4.78
Rot. Bonds6

About (Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine

(Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine (PubChem CID 88990239) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is (Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine
PubChem CID88990239
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name(Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine
SMILESC=C(S/C(=C\N)c1ncn2c1-c1cc(OC)c(OC)cc1CC2)c1ccccc1
InChIInChI=1S/C23H23N3O2S/c1-15(16-7-5-4-6-8-16)29-21(13-24)22-23-18-12-20(28-3)19(27-2)11-17(18)9-10-26(23)14-25-22/h4-8,11-14H,1,9-10,24H2,2-3H3/b21-13-
InChIKeyRHASAHWUAJTAEA-BKUYFWCQSA-N
XLogP4.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine?
The IUPAC name of (Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine (CID 88990239) is (Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine.
What is the SMILES notation for (Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine?
The canonical SMILES for (Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine is C=C(S/C(=C\N)c1ncn2c1-c1cc(OC)c(OC)cc1CC2)c1ccccc1.
What is the InChIKey of (Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine?
The InChIKey is RHASAHWUAJTAEA-BKUYFWCQSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-15(16-7-5-4-6-8-16)29-21(13-24)22-23-18-12-20(28-3)19(27-2)11-17(18)9-10-26(23)14-25-22/h4-8,11-14H,1,9-10,24H2,2-3H3/b21-13-.
What are the key properties of (Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine?
(Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine has a molecular weight of 405.52 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-(1-phenylethenylsulfanyl)ethenamine is sourced from PubChem (CID 88990239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).