N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

C25H20N4O3 — CID 108806354

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H20N4O3/c30-23(26-16-9-10-21-22(15-16)32-14-13-31-21)11-12-29-20-8-4-1-5-17(20)24-25(29)28-19-7-3-2-6-18(19)27-24/h1-10,15H,11-14H2,(H,26,30)
InChIKeyCLZHSXBJMYPNHI-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.54
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (PubChem CID 108806354) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
PubChem CID108806354
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H20N4O3/c30-23(26-16-9-10-21-22(15-16)32-14-13-31-21)11-12-29-20-8-4-1-5-17(20)24-25(29)28-19-7-3-2-6-18(19)27-24/h1-10,15H,11-14H2,(H,26,30)
InChIKeyCLZHSXBJMYPNHI-UHFFFAOYSA-N
XLogP4.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730975
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998549
N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 3235668
N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794860
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 5007961
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid
CID 108744221
3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
CID 108794711
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (CID 108806354) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is O=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The InChIKey is CLZHSXBJMYPNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-23(26-16-9-10-21-22(15-16)32-14-13-31-21)11-12-29-20-8-4-1-5-17(20)24-25(29)28-19-7-3-2-6-18(19)27-24/h1-10,15H,11-14H2,(H,26,30).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide has a molecular weight of 424.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is sourced from PubChem (CID 108806354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).