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

C29H24N4O4 — CID 53383380

IUPAC2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(C1CC1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C29H24N4O4/c34-28(30-19-11-12-24-25(16-19)37-14-13-36-24)27(17-9-10-17)33-23-8-4-3-7-21(23)32-26(29(33)35)22-15-18-5-1-2-6-20(18)31-22/h1-8,11-12,15-17,27,31H,9-10,13-14H2,(H,30,34)
InChIKeyBCKYDHNQQUFDEP-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.91
Rot. Bonds5

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

2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide (PubChem CID 53383380) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide
PubChem CID53383380
Molecular FormulaC29H24N4O4
Molecular Weight492.54 g/mol
Exact Mass492.18
IUPAC Name2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(C1CC1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C29H24N4O4/c34-28(30-19-11-12-24-25(16-19)37-14-13-36-24)27(17-9-10-17)33-23-8-4-3-7-21(23)32-26(29(33)35)22-15-18-5-1-2-6-20(18)31-22/h1-8,11-12,15-17,27,31H,9-10,13-14H2,(H,30,34)
InChIKeyBCKYDHNQQUFDEP-UHFFFAOYSA-N
XLogP4.91
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide (CID 53383380) is 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide is O=C(Nc1ccc2c(c1)OCCO2)C(C1CC1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21.
What is the InChIKey of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
The InChIKey is BCKYDHNQQUFDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O4/c34-28(30-19-11-12-24-25(16-19)37-14-13-36-24)27(17-9-10-17)33-23-8-4-3-7-21(23)32-26(29(33)35)22-15-18-5-1-2-6-20(18)31-22/h1-8,11-12,15-17,27,31H,9-10,13-14H2,(H,30,34).
What are the key properties of 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide has a molecular weight of 492.54 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide is sourced from PubChem (CID 53383380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).