ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate

C23H22N2O5 — CID 139356019

IUPACethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1cccc(Nc2ccc(-c3cccc4c3OCCO4)nc2OC)c1
InChIInChI=1S/C23H22N2O5/c1-3-28-23(26)15-6-4-7-16(14-15)24-19-11-10-18(25-22(19)27-2)17-8-5-9-20-21(17)30-13-12-29-20/h4-11,14,24H,3,12-13H2,1-2H3
InChIKeyFODXGRTUODHBMN-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.45
Rot. Bonds6

About ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate

ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate (PubChem CID 139356019) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate
PubChem CID139356019
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Nameethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1cccc(Nc2ccc(-c3cccc4c3OCCO4)nc2OC)c1
InChIInChI=1S/C23H22N2O5/c1-3-28-23(26)15-6-4-7-16(14-15)24-19-11-10-18(25-22(19)27-2)17-8-5-9-20-21(17)30-13-12-29-20/h4-11,14,24H,3,12-13H2,1-2H3
InChIKeyFODXGRTUODHBMN-UHFFFAOYSA-N
XLogP4.45
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]phenyl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 159715192
4-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoic acid;methyl 4-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate
CID 159258531
[4-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]phenyl]methanol
CID 139348403
2-[4-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]phenyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 139356143
tert-butyl 4-[[[4-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 139356033
CID 150616662
CID 150616662
5-[5-[4-(dimethylcarbamoyl)anilino]-6-methoxy-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348450
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2791223
6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-N-pyridin-3-ylpyridin-3-amine
CID 139348458
ethyl 3-(2-aminoanilino)benzoate
CID 59419795
methyl 3-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)benzoate
CID 110699611
5-[6-methoxy-5-[4-[(morpholin-3-ylmethylamino)methyl]anilino]-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139347894

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate (CID 139356019) is ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate is CCOC(=O)c1cccc(Nc2ccc(-c3cccc4c3OCCO4)nc2OC)c1.
What is the InChIKey of ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate?
The InChIKey is FODXGRTUODHBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-3-28-23(26)15-6-4-7-16(14-15)24-19-11-10-18(25-22(19)27-2)17-8-5-9-20-21(17)30-13-12-29-20/h4-11,14,24H,3,12-13H2,1-2H3.
What are the key properties of ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate?
ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate has a molecular weight of 406.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 139356019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).