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

C31H23N5O4 — CID 53383378

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(c1ccncc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C31H23N5O4/c37-30(33-21-9-10-26-27(18-21)40-16-15-39-26)29(19-11-13-32-14-12-19)36-25-8-4-3-7-23(25)35-28(31(36)38)24-17-20-5-1-2-6-22(20)34-24/h1-14,17-18,29,34H,15-16H2,(H,33,37)
InChIKeySXSUYEOIRYTSCK-UHFFFAOYSA-N
MW529.56 g/mol
LogP4.94
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide (PubChem CID 53383378) has the molecular formula C31H23N5O4 and a molecular weight of 529.56 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-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide
PubChem CID53383378
Molecular FormulaC31H23N5O4
Molecular Weight529.56 g/mol
Exact Mass529.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(c1ccncc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C31H23N5O4/c37-30(33-21-9-10-26-27(18-21)40-16-15-39-26)29(19-11-13-32-14-12-19)36-25-8-4-3-7-23(25)35-28(31(36)38)24-17-20-5-1-2-6-22(20)34-24/h1-14,17-18,29,34H,15-16H2,(H,33,37)
InChIKeySXSUYEOIRYTSCK-UHFFFAOYSA-N
XLogP4.94
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-pyridin-4-ylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide (CID 53383378) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide.
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-pyridin-4-ylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide is O=C(Nc1ccc2c(c1)OCCO2)C(c1ccncc1)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-pyridin-4-ylacetamide?
The InChIKey is SXSUYEOIRYTSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N5O4/c37-30(33-21-9-10-26-27(18-21)40-16-15-39-26)29(19-11-13-32-14-12-19)36-25-8-4-3-7-23(25)35-28(31(36)38)24-17-20-5-1-2-6-22(20)34-24/h1-14,17-18,29,34H,15-16H2,(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-pyridin-4-ylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide has a molecular weight of 529.56 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyridin-4-ylacetamide is sourced from PubChem (CID 53383378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).