2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide

C22H20ClNO6 — CID 43033048

IUPAC2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N(C)CC3COc4ccccc4O3)c(Cl)cc12
InChIInChI=1S/C22H20ClNO6/c1-13-7-22(26)30-19-9-20(16(23)8-15(13)19)28-12-21(25)24(2)10-14-11-27-17-5-3-4-6-18(17)29-14/h3-9,14H,10-12H2,1-2H3
InChIKeyVHXXMVZOVYYRLO-UHFFFAOYSA-N
MW429.86 g/mol
LogP3.43
Rot. Bonds5

About 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide (PubChem CID 43033048) has the molecular formula C22H20ClNO6 and a molecular weight of 429.86 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide
PubChem CID43033048
Molecular FormulaC22H20ClNO6
Molecular Weight429.86 g/mol
Exact Mass429.10
IUPAC Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N(C)CC3COc4ccccc4O3)c(Cl)cc12
InChIInChI=1S/C22H20ClNO6/c1-13-7-22(26)30-19-9-20(16(23)8-15(13)19)28-12-21(25)24(2)10-14-11-27-17-5-3-4-6-18(17)29-14/h3-9,14H,10-12H2,1-2H3
InChIKeyVHXXMVZOVYYRLO-UHFFFAOYSA-N
XLogP3.43
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide 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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 42896195
2-(2,4-dichlorophenoxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylacetamide
CID 9438928
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 4828466
6-chloro-7-[2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 41057980
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-ethylphenoxy)-N-methylacetamide
CID 112792043
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 51873142
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
6-chloro-4-methyl-7-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]chromen-2-one
CID 8505671
6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one
CID 7953989
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylacetamide
CID 9337612
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide
CID 51144843
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(3-nitrophenoxy)acetamide
CID 8586814

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide (CID 43033048) is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide is Cc1cc(=O)oc2cc(OCC(=O)N(C)CC3COc4ccccc4O3)c(Cl)cc12.
What is the InChIKey of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide?
The InChIKey is VHXXMVZOVYYRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO6/c1-13-7-22(26)30-19-9-20(16(23)8-15(13)19)28-12-21(25)24(2)10-14-11-27-17-5-3-4-6-18(17)29-14/h3-9,14H,10-12H2,1-2H3.
What are the key properties of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide?
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide has a molecular weight of 429.86 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 43033048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).