1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride

C20H22ClNO4 — CID 18530910

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride
SMILESCl.O=C(c1ccc2c(c1)OCCO2)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H21NO4.ClH/c22-20(16-6-7-17-18(14-16)25-13-12-24-17)19(15-4-2-1-3-5-15)21-8-10-23-11-9-21;/h1-7,14,19H,8-13H2;1H
InChIKeyHZEQPZZFQINBHE-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.14
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride (PubChem CID 18530910) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride
PubChem CID18530910
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride
SMILESCl.O=C(c1ccc2c(c1)OCCO2)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H21NO4.ClH/c22-20(16-6-7-17-18(14-16)25-13-12-24-17)19(15-4-2-1-3-5-15)21-8-10-23-11-9-21;/h1-7,14,19H,8-13H2;1H
InChIKeyHZEQPZZFQINBHE-UHFFFAOYSA-N
XLogP3.14
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride
CID 21228902
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone
CID 162419646
1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
CID 71319479
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
[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
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
1-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylethanone
CID 21408356
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110827798
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7534852
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-1-one
CID 116552522

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride (CID 18530910) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride is Cl.O=C(c1ccc2c(c1)OCCO2)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride?
The InChIKey is HZEQPZZFQINBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4.ClH/c22-20(16-6-7-17-18(14-16)25-13-12-24-17)19(15-4-2-1-3-5-15)21-8-10-23-11-9-21;/h1-7,14,19H,8-13H2;1H.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride has a molecular weight of 375.85 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-phenylethanone;hydrochloride is sourced from PubChem (CID 18530910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).