1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone

C19H20N2O4 — CID 162419646

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone
SMILESO=C(c1ccc2c(c1)OCCO2)C(c1ccccn1)N1CCOCC1
InChIInChI=1S/C19H20N2O4/c22-19(14-4-5-16-17(13-14)25-12-11-24-16)18(15-3-1-2-6-20-15)21-7-9-23-10-8-21/h1-6,13,18H,7-12H2
InChIKeyKTBGOBQHXUXAQA-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.11
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone (PubChem CID 162419646) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone
PubChem CID162419646
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone
SMILESO=C(c1ccc2c(c1)OCCO2)C(c1ccccn1)N1CCOCC1
InChIInChI=1S/C19H20N2O4/c22-19(14-4-5-16-17(13-14)25-12-11-24-16)18(15-3-1-2-6-20-15)21-7-9-23-10-8-21/h1-6,13,18H,7-12H2
InChIKeyKTBGOBQHXUXAQA-UHFFFAOYSA-N
XLogP2.11
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride
CID 18530910
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride
CID 21228902
[24-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)methanone
CID 3265829
3-(1,3-benzodioxol-5-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 47108196
2-morpholin-4-yl-2-pyridin-2-ylethanol
CID 91095032
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
CID 97188439
1-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)ethanone
CID 3911959
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 79413998
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
(2R)-2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
CID 7353989
2-bromo-2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 116863830
1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
CID 71319479

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone (CID 162419646) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone is O=C(c1ccc2c(c1)OCCO2)C(c1ccccn1)N1CCOCC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone?
The InChIKey is KTBGOBQHXUXAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-19(14-4-5-16-17(13-14)25-12-11-24-16)18(15-3-1-2-6-20-15)21-7-9-23-10-8-21/h1-6,13,18H,7-12H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone has a molecular weight of 340.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone is sourced from PubChem (CID 162419646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).