[3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate

C25H33N5O5 — CID 155515507

IUPAC[3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1c(COC(=O)NCC)c2c3ccccc3c(N3CCOCC3)nn2c1CC
InChIInChI=1S/C25H33N5O5/c1-4-21-19(15-34-24(31)26-5-2)20(16-35-25(32)27-6-3)22-17-9-7-8-10-18(17)23(28-30(21)22)29-11-13-33-14-12-29/h7-10H,4-6,11-16H2,1-3H3,(H,26,31)(H,27,32)
InChIKeyMWYGPFQCPYZUEN-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.38
Rot. Bonds8

About [3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate

[3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate (PubChem CID 155515507) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is [3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate.

Molecular Properties

Compound Name[3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate
PubChem CID155515507
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC Name[3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1c(COC(=O)NCC)c2c3ccccc3c(N3CCOCC3)nn2c1CC
InChIInChI=1S/C25H33N5O5/c1-4-21-19(15-34-24(31)26-5-2)20(16-35-25(32)27-6-3)22-17-9-7-8-10-18(17)23(28-30(21)22)29-11-13-33-14-12-29/h7-10H,4-6,11-16H2,1-3H3,(H,26,31)(H,27,32)
InChIKeyMWYGPFQCPYZUEN-UHFFFAOYSA-N
XLogP3.38
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate?
The IUPAC name of [3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate (CID 155515507) is [3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate.
What is the SMILES notation for [3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate?
The canonical SMILES for [3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate is CCNC(=O)OCc1c(COC(=O)NCC)c2c3ccccc3c(N3CCOCC3)nn2c1CC.
What is the InChIKey of [3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate?
The InChIKey is MWYGPFQCPYZUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-4-21-19(15-34-24(31)26-5-2)20(16-35-25(32)27-6-3)22-17-9-7-8-10-18(17)23(28-30(21)22)29-11-13-33-14-12-29/h7-10H,4-6,11-16H2,1-3H3,(H,26,31)(H,27,32).
What are the key properties of [3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate?
[3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate has a molecular weight of 483.57 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate is sourced from PubChem (CID 155515507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).