8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one

C24H20ClNO3 — CID 5446900

IUPAC8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one
SMILESCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)coc12
InChIInChI=1S/C24H20ClNO3/c1-26(13-16-7-3-2-4-8-16)14-19-22(27)12-11-18-23(28)20(15-29-24(18)19)17-9-5-6-10-21(17)25/h2-12,15,27H,13-14H2,1H3
InChIKeyBECQZFYUKOAZDP-UHFFFAOYSA-N
MW405.88 g/mol
LogP5.45
Rot. Bonds5

About 8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one

8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one (PubChem CID 5446900) has the molecular formula C24H20ClNO3 and a molecular weight of 405.88 g/mol. Its IUPAC name is 8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one
PubChem CID5446900
Molecular FormulaC24H20ClNO3
Molecular Weight405.88 g/mol
Exact Mass405.11
IUPAC Name8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one
SMILESCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)coc12
InChIInChI=1S/C24H20ClNO3/c1-26(13-16-7-3-2-4-8-16)14-19-22(27)12-11-18-23(28)20(15-29-24(18)19)17-9-5-6-10-21(17)25/h2-12,15,27H,13-14H2,1H3
InChIKeyBECQZFYUKOAZDP-UHFFFAOYSA-N
XLogP5.45
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-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 8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one?
The IUPAC name of 8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one (CID 5446900) is 8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one.
What is the SMILES notation for 8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one?
The canonical SMILES for 8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one is CN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)coc12.
What is the InChIKey of 8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one?
The InChIKey is BECQZFYUKOAZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO3/c1-26(13-16-7-3-2-4-8-16)14-19-22(27)12-11-18-23(28)20(15-29-24(18)19)17-9-5-6-10-21(17)25/h2-12,15,27H,13-14H2,1H3.
What are the key properties of 8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one?
8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one has a molecular weight of 405.88 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one is sourced from PubChem (CID 5446900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).