[3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol

C22H23NO4 — CID 42597687

IUPAC[3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
SMILESCOc1ccc(-c2c(CO)c(CO)c3n2Cc2ccccc2C3)cc1OC
InChIInChI=1S/C22H23NO4/c1-26-20-8-7-15(10-21(20)27-2)22-18(13-25)17(12-24)19-9-14-5-3-4-6-16(14)11-23(19)22/h3-8,10,24-25H,9,11-13H2,1-2H3
InChIKeyJBWSCNVYHFSFLY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.11
Rot. Bonds5

About [3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol

[3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol (PubChem CID 42597687) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
PubChem CID42597687
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
SMILESCOc1ccc(-c2c(CO)c(CO)c3n2Cc2ccccc2C3)cc1OC
InChIInChI=1S/C22H23NO4/c1-26-20-8-7-15(10-21(20)27-2)22-18(13-25)17(12-24)19-9-14-5-3-4-6-16(14)11-23(19)22/h3-8,10,24-25H,9,11-13H2,1-2H3
InChIKeyJBWSCNVYHFSFLY-UHFFFAOYSA-N
XLogP3.11
TPSA63.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol with MolForge

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Moxaverine
CID 70882
Columbamine
CID 72310
Jatrorrhizine
CID 72323
Berberrubine
CID 72704
Jatrorrhizine Chloride
CID 371256
Dehydrocorydaline
CID 34781
alpha-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-1-isoquinolinemethanol
CID 275192
Stepharanine
CID 10358881
Thalifendine
CID 3084288

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol (CID 42597687) is [3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol is COc1ccc(-c2c(CO)c(CO)c3n2Cc2ccccc2C3)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
The InChIKey is JBWSCNVYHFSFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-26-20-8-7-15(10-21(20)27-2)22-18(13-25)17(12-24)19-9-14-5-3-4-6-16(14)11-23(19)22/h3-8,10,24-25H,9,11-13H2,1-2H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
[3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol has a molecular weight of 365.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol is sourced from PubChem (CID 42597687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).