[3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate

C19H23N3O4 — CID 42597688

IUPAC[3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(COC(=O)NC)c2n(c1C)Cc1ccccc1C2
InChIInChI=1S/C19H23N3O4/c1-12-15(10-25-18(23)20-2)16(11-26-19(24)21-3)17-8-13-6-4-5-7-14(13)9-22(12)17/h4-7H,8-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNUFOHXLLWJBCAF-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.46
Rot. Bonds4

About [3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate

[3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate (PubChem CID 42597688) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate
PubChem CID42597688
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(COC(=O)NC)c2n(c1C)Cc1ccccc1C2
InChIInChI=1S/C19H23N3O4/c1-12-15(10-25-18(23)20-2)16(11-26-19(24)21-3)17-8-13-6-4-5-7-14(13)9-22(12)17/h4-7H,8-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNUFOHXLLWJBCAF-UHFFFAOYSA-N
XLogP2.46
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate?
The IUPAC name of [3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate (CID 42597688) is [3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate.
What is the SMILES notation for [3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate?
The canonical SMILES for [3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate is CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)Cc1ccccc1C2.
What is the InChIKey of [3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate?
The InChIKey is NUFOHXLLWJBCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-15(10-25-18(23)20-2)16(11-26-19(24)21-3)17-8-13-6-4-5-7-14(13)9-22(12)17/h4-7H,8-11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of [3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate?
[3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate has a molecular weight of 357.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(methylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methyl N-methylcarbamate is sourced from PubChem (CID 42597688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).