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

C22H22N2O2 — CID 123623723

IUPAC(1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(C)c2n(c1-c1ccccc1)Cc1ccccc1C2
InChIInChI=1S/C22H22N2O2/c1-15-19(14-26-22(25)23-2)21(16-8-4-3-5-9-16)24-13-18-11-7-6-10-17(18)12-20(15)24/h3-11H,12-14H2,1-2H3,(H,23,25)
InChIKeyMSLZVSRTWJDBGO-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.27
Rot. Bonds3

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

(1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate (PubChem CID 123623723) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate
PubChem CID123623723
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(C)c2n(c1-c1ccccc1)Cc1ccccc1C2
InChIInChI=1S/C22H22N2O2/c1-15-19(14-26-22(25)23-2)21(16-8-4-3-5-9-16)24-13-18-11-7-6-10-17(18)12-20(15)24/h3-11H,12-14H2,1-2H3,(H,23,25)
InChIKeyMSLZVSRTWJDBGO-UHFFFAOYSA-N
XLogP4.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dimethoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-methylcarbamate
CID 123526673
(1-ethyl-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl)methyl N-methylcarbamate
CID 123620252
[2-(hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597448
[3-(3,4-difluorophenyl)-2-(ethylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methyl N-ethylcarbamate
CID 53322044
[3-(3,4-difluorophenyl)-2-(propylcarbamoyloxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methyl N-propylcarbamate
CID 42598404
[1-(4-methoxyphenyl)-3-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methyl N-ethylcarbamate
CID 123203308
[1-(3,4-dimethoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
CID 42600611
[2-(ethylcarbamoyloxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate
CID 71575206
anthracen-9-ylmethyl N-methylcarbamate
CID 90378707
[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
CID 4990
ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate
CID 20855117
[2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate
CID 142022851

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate?
The IUPAC name of (1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate (CID 123623723) is (1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate.
What is the SMILES notation for (1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate?
The canonical SMILES for (1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate is CNC(=O)OCc1c(C)c2n(c1-c1ccccc1)Cc1ccccc1C2.
What is the InChIKey of (1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate?
The InChIKey is MSLZVSRTWJDBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-19(14-26-22(25)23-2)21(16-8-4-3-5-9-16)24-13-18-11-7-6-10-17(18)12-20(15)24/h3-11H,12-14H2,1-2H3,(H,23,25).
What are the key properties of (1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate?
(1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate has a molecular weight of 346.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl)methyl N-methylcarbamate is sourced from PubChem (CID 123623723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).