N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide

C32H24N4O4 — CID 53383379

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(c1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C32H24N4O4/c37-31(33-22-14-15-27-28(19-22)40-17-16-39-27)30(20-8-2-1-3-9-20)36-26-13-7-6-12-24(26)35-29(32(36)38)25-18-21-10-4-5-11-23(21)34-25/h1-15,18-19,30,34H,16-17H2,(H,33,37)
InChIKeyJKFQNRYQCSKNKE-UHFFFAOYSA-N
MW528.57 g/mol
LogP5.54
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide (PubChem CID 53383379) has the molecular formula C32H24N4O4 and a molecular weight of 528.57 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide
PubChem CID53383379
Molecular FormulaC32H24N4O4
Molecular Weight528.57 g/mol
Exact Mass528.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(c1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C32H24N4O4/c37-31(33-22-14-15-27-28(19-22)40-17-16-39-27)30(20-8-2-1-3-9-20)36-26-13-7-6-12-24(26)35-29(32(36)38)25-18-21-10-4-5-11-23(21)34-25/h1-15,18-19,30,34H,16-17H2,(H,33,37)
InChIKeyJKFQNRYQCSKNKE-UHFFFAOYSA-N
XLogP5.54
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.57
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide (CID 53383379) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide is O=C(Nc1ccc2c(c1)OCCO2)C(c1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide?
The InChIKey is JKFQNRYQCSKNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O4/c37-31(33-22-14-15-27-28(19-22)40-17-16-39-27)30(20-8-2-1-3-9-20)36-26-13-7-6-12-24(26)35-29(32(36)38)25-18-21-10-4-5-11-23(21)34-25/h1-15,18-19,30,34H,16-17H2,(H,33,37).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide has a molecular weight of 528.57 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 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)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 53383379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).