N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide

C33H28N4O2 — CID 53383368

IUPACN-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide
SMILESO=C(NCc1ccccc1)C(CCc1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C33H28N4O2/c38-32(34-22-24-13-5-2-6-14-24)30(20-19-23-11-3-1-4-12-23)37-29-18-10-9-17-27(29)36-31(33(37)39)28-21-25-15-7-8-16-26(25)35-28/h1-18,21,30,35H,19-20,22H2,(H,34,38)
InChIKeyCOUMLOANJNYXCF-UHFFFAOYSA-N
MW512.61 g/mol
LogP6.04
Rot. Bonds8

About N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide

N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide (PubChem CID 53383368) has the molecular formula C33H28N4O2 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide
PubChem CID53383368
Molecular FormulaC33H28N4O2
Molecular Weight512.61 g/mol
Exact Mass512.22
IUPAC NameN-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide
SMILESO=C(NCc1ccccc1)C(CCc1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C33H28N4O2/c38-32(34-22-24-13-5-2-6-14-24)30(20-19-23-11-3-1-4-12-23)37-29-18-10-9-17-27(29)36-31(33(37)39)28-21-25-15-7-8-16-26(25)35-28/h1-18,21,30,35H,19-20,22H2,(H,34,38)
InChIKeyCOUMLOANJNYXCF-UHFFFAOYSA-N
XLogP6.04
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide?
The IUPAC name of N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide (CID 53383368) is N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide.
What is the SMILES notation for N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide?
The canonical SMILES for N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide is O=C(NCc1ccccc1)C(CCc1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21.
What is the InChIKey of N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide?
The InChIKey is COUMLOANJNYXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O2/c38-32(34-22-24-13-5-2-6-14-24)30(20-19-23-11-3-1-4-12-23)37-29-18-10-9-17-27(29)36-31(33(37)39)28-21-25-15-7-8-16-26(25)35-28/h1-18,21,30,35H,19-20,22H2,(H,34,38).
What are the key properties of N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide?
N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide has a molecular weight of 512.61 g/mol, XLogP of 6.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide is sourced from PubChem (CID 53383368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).