2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one

C20H24N4O4 — CID 66883020

IUPAC2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
SMILESCOc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C
InChIInChI=1S/C20H24N4O4/c1-22-17(21-18(13-19(22)25)23-8-10-28-11-9-23)12-20(26)24-7-6-14-15(24)4-3-5-16(14)27-2/h3-5,13H,6-12H2,1-2H3
InChIKeyIEPXQEPPVSTUGZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.76
Rot. Bonds4

About 2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one

2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one (PubChem CID 66883020) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
PubChem CID66883020
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
SMILESCOc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C
InChIInChI=1S/C20H24N4O4/c1-22-17(21-18(13-19(22)25)23-8-10-28-11-9-23)12-20(26)24-7-6-14-15(24)4-3-5-16(14)27-2/h3-5,13H,6-12H2,1-2H3
InChIKeyIEPXQEPPVSTUGZ-UHFFFAOYSA-N
XLogP0.76
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one 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 2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one (CID 66883020) is 2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one is COc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C.
What is the InChIKey of 2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The InChIKey is IEPXQEPPVSTUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-22-17(21-18(13-19(22)25)23-8-10-28-11-9-23)12-20(26)24-7-6-14-15(24)4-3-5-16(14)27-2/h3-5,13H,6-12H2,1-2H3.
What are the key properties of 2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one has a molecular weight of 384.44 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 66883020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).