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

C16H19NO2 — CID 42597447

IUPAC[3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
SMILESCCc1c(CO)c(CO)c2n1Cc1ccccc1C2
InChIInChI=1S/C16H19NO2/c1-2-15-13(9-18)14(10-19)16-7-11-5-3-4-6-12(11)8-17(15)16/h3-6,18-19H,2,7-10H2,1H3
InChIKeyFDVVCZDVVSYZSL-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.99
Rot. Bonds3

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

[3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol (PubChem CID 42597447) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
PubChem CID42597447
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
SMILESCCc1c(CO)c(CO)c2n1Cc1ccccc1C2
InChIInChI=1S/C16H19NO2/c1-2-15-13(9-18)14(10-19)16-7-11-5-3-4-6-12(11)8-17(15)16/h3-6,18-19H,2,7-10H2,1H3
InChIKeyFDVVCZDVVSYZSL-UHFFFAOYSA-N
XLogP1.99
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Hydroxymethyl-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl)methanol
CID 42597446
[2-(Hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597448
[3-(4-Chlorophenyl)-2-hydroxymethyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597449
[3-(4-Fluorophenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597450
[3-(3,4-Difluorophenyl)-2-hydroxymethyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597684
[2-Hydroxymethyl-3-(4-methoxyphenyl)-5,10-dihydropyrrolo[1,2-b]-isoquinolin-1-yl]methanol
CID 42597686
[3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate
CID 42597688
[3,6-dimethyl-6,11-dihydro-5H-indolizino[6,7-b]indole-1,2-diyl]dimethanol
CID 56945246
[6-Ethyl-3-methyl-6,11-dihydro-5H-indolizino[6,7-b]indole-1,2-diyl]dimethanol
CID 71574550
Topoisomerase I/II inhibitor BO-1978
CID 71575014
[3-ethyl-2-(ethylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methyl N-ethylcarbamate
CID 53319445
[1-(ethylcarbamoyloxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-ethylcarbamate
CID 53320749

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
The IUPAC name of [3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol (CID 42597447) is [3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol.
What is the SMILES notation for [3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
The canonical SMILES for [3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol is CCc1c(CO)c(CO)c2n1Cc1ccccc1C2.
What is the InChIKey of [3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
The InChIKey is FDVVCZDVVSYZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-15-13(9-18)14(10-19)16-7-11-5-3-4-6-12(11)8-17(15)16/h3-6,18-19H,2,7-10H2,1H3.
What are the key properties of [3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol?
[3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol has a molecular weight of 257.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol is sourced from PubChem (CID 42597447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).