N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide

C22H23N3O4 — CID 25480037

IUPACN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide
SMILESCCCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C22H23N3O4/c1-2-11-24(13-16-15-28-19-9-5-6-10-20(19)29-16)22(27)14-25-18-8-4-3-7-17(18)23-12-21(25)26/h3-10,12,16H,2,11,13-15H2,1H3/t16-/m1/s1
InChIKeyUHXXIKQZYPAZCT-MRXNPFEDSA-N
MW393.44 g/mol
LogP2.48
Rot. Bonds6

About N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide (PubChem CID 25480037) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide
PubChem CID25480037
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide
SMILESCCCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C22H23N3O4/c1-2-11-24(13-16-15-28-19-9-5-6-10-20(19)29-16)22(27)14-25-18-8-4-3-7-17(18)23-12-21(25)26/h3-10,12,16H,2,11,13-15H2,1H3/t16-/m1/s1
InChIKeyUHXXIKQZYPAZCT-MRXNPFEDSA-N
XLogP2.48
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide?
The IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide (CID 25480037) is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide.
What is the SMILES notation for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide?
The canonical SMILES for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide is CCCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide?
The InChIKey is UHXXIKQZYPAZCT-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-2-11-24(13-16-15-28-19-9-5-6-10-20(19)29-16)22(27)14-25-18-8-4-3-7-17(18)23-12-21(25)26/h3-10,12,16H,2,11,13-15H2,1H3/t16-/m1/s1.
What are the key properties of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide?
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide has a molecular weight of 393.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide is sourced from PubChem (CID 25480037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).