5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one

C23H21N3O4 — CID 71054630

IUPAC5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one
SMILESCOc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NOC1)cn2CCO
InChIInChI=1S/C23H21N3O4/c1-29-14-6-7-21-16(10-14)18(12-26(21)8-9-27)19-13-30-25-23(28)22(19)17-11-24-20-5-3-2-4-15(17)20/h2-7,10-12,24,27H,8-9,13H2,1H3,(H,25,28)
InChIKeyPXKBPTXCLKBVET-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.10
Rot. Bonds5

About 5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one

5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one (PubChem CID 71054630) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one.

Molecular Properties

Compound Name5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one
PubChem CID71054630
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one
SMILESCOc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NOC1)cn2CCO
InChIInChI=1S/C23H21N3O4/c1-29-14-6-7-21-16(10-14)18(12-26(21)8-9-27)19-13-30-25-23(28)22(19)17-11-24-20-5-3-2-4-15(17)20/h2-7,10-12,24,27H,8-9,13H2,1H3,(H,25,28)
InChIKeyPXKBPTXCLKBVET-UHFFFAOYSA-N
XLogP3.10
TPSA88.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410625
3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 15106759
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410145
3-(1-butyl-5-methoxyindol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;ethanimidamide
CID 145482206
(Z)-4-hydroxy-3-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-2-(1H-indol-3-yl)-N,N-dimethylbut-2-enamide
CID 71054632
3-[1-(3-hydroxypropyl)-5-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409210
3-[1-(3-ethoxy-2-hydroxypropyl)-6-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409750
3-[1-(2-aminoethyl)-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410386
3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
CID 163360683
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409335
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione
CID 25028895
3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410004

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one?
The IUPAC name of 5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one (CID 71054630) is 5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one.
What is the SMILES notation for 5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one?
The canonical SMILES for 5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one is COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NOC1)cn2CCO.
What is the InChIKey of 5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one?
The InChIKey is PXKBPTXCLKBVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-29-14-6-7-21-16(10-14)18(12-26(21)8-9-27)19-13-30-25-23(28)22(19)17-11-24-20-5-3-2-4-15(17)20/h2-7,10-12,24,27H,8-9,13H2,1H3,(H,25,28).
What are the key properties of 5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one?
5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one has a molecular weight of 403.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one is sourced from PubChem (CID 71054630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).