[6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate

C25H27N3O6 — CID 42600863

IUPAC[6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(OC)cc2)n2c1Cc1cc(OC)ccc1-2
InChIInChI=1S/C25H27N3O6/c1-26-24(29)33-13-19-20(14-34-25(30)27-2)23(15-5-7-17(31-3)8-6-15)28-21-10-9-18(32-4)11-16(21)12-22(19)28/h5-11H,12-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyMQLPOOFUYWVTRF-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.78
Rot. Bonds7

About [6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate

[6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate (PubChem CID 42600863) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is [6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
PubChem CID42600863
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Name[6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(OC)cc2)n2c1Cc1cc(OC)ccc1-2
InChIInChI=1S/C25H27N3O6/c1-26-24(29)33-13-19-20(14-34-25(30)27-2)23(15-5-7-17(31-3)8-6-15)28-21-10-9-18(32-4)11-16(21)12-22(19)28/h5-11H,12-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyMQLPOOFUYWVTRF-UHFFFAOYSA-N
XLogP3.78
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The IUPAC name of [6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate (CID 42600863) is [6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate.
What is the SMILES notation for [6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The canonical SMILES for [6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate is CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(OC)cc2)n2c1Cc1cc(OC)ccc1-2.
What is the InChIKey of [6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The InChIKey is MQLPOOFUYWVTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-26-24(29)33-13-19-20(14-34-25(30)27-2)23(15-5-7-17(31-3)8-6-15)28-21-10-9-18(32-4)11-16(21)12-22(19)28/h5-11H,12-14H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of [6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
[6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate has a molecular weight of 465.51 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate is sourced from PubChem (CID 42600863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).