1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone

C22H25N3O4 — CID 110361578

IUPAC1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H25N3O4/c26-22(17-5-6-20-21(15-17)29-16-28-20)25-10-9-24(18-3-1-2-4-19(18)25)8-7-23-11-13-27-14-12-23/h1-6,15H,7-14,16H2
InChIKeyBPQCFLWCEHGIJX-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.21
Rot. Bonds4

About 1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone (PubChem CID 110361578) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
PubChem CID110361578
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H25N3O4/c26-22(17-5-6-20-21(15-17)29-16-28-20)25-10-9-24(18-3-1-2-4-19(18)25)8-7-23-11-13-27-14-12-23/h1-6,15H,7-14,16H2
InChIKeyBPQCFLWCEHGIJX-UHFFFAOYSA-N
XLogP2.21
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone with MolForge

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Related Compounds

1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422667
2,2-dimethyl-1-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361546
1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111788
N-(2-morpholin-4-ylethoxy)-1,3-benzodioxole-5-carboxamide
CID 110642786
1,3-benzodioxole-5-carboxamide;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine
CID 67561389
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42724305
7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642802
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
1-[(2S)-4-(1,3-benzodioxole-5-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079482
4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one
CID 110742163

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone (CID 110361578) is 1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCN(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
The InChIKey is BPQCFLWCEHGIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-22(17-5-6-20-21(15-17)29-16-28-20)25-10-9-24(18-3-1-2-4-19(18)25)8-7-23-11-13-27-14-12-23/h1-6,15H,7-14,16H2.
What are the key properties of 1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone has a molecular weight of 395.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone is sourced from PubChem (CID 110361578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).