[4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone

C26H24N2O4 — CID 164622537

IUPAC[4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone
SMILESO=C(c1ccc(CNCCO)cc1)n1ccc2c(-c3ccc4c(c3)OCCO4)cccc21
InChIInChI=1S/C26H24N2O4/c29-13-11-27-17-18-4-6-19(7-5-18)26(30)28-12-10-22-21(2-1-3-23(22)28)20-8-9-24-25(16-20)32-15-14-31-24/h1-10,12,16,27,29H,11,13-15,17H2
InChIKeyQCSRDNVLYZNZLX-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.85
Rot. Bonds6

About [4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone (PubChem CID 164622537) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone
PubChem CID164622537
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name[4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone
SMILESO=C(c1ccc(CNCCO)cc1)n1ccc2c(-c3ccc4c(c3)OCCO4)cccc21
InChIInChI=1S/C26H24N2O4/c29-13-11-27-17-18-4-6-19(7-5-18)26(30)28-12-10-22-21(2-1-3-23(22)28)20-8-9-24-25(16-20)32-15-14-31-24/h1-10,12,16,27,29H,11,13-15,17H2
InChIKeyQCSRDNVLYZNZLX-UHFFFAOYSA-N
XLogP3.85
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone 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 [4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone?
The IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone (CID 164622537) is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone.
What is the SMILES notation for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone?
The canonical SMILES for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone is O=C(c1ccc(CNCCO)cc1)n1ccc2c(-c3ccc4c(c3)OCCO4)cccc21.
What is the InChIKey of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone?
The InChIKey is QCSRDNVLYZNZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c29-13-11-27-17-18-4-6-19(7-5-18)26(30)28-12-10-22-21(2-1-3-23(22)28)20-8-9-24-25(16-20)32-15-14-31-24/h1-10,12,16,27,29H,11,13-15,17H2.
What are the key properties of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone?
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone has a molecular weight of 428.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone is sourced from PubChem (CID 164622537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).