N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide

C30H30N4O2 — CID 46324784

IUPACN-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide
SMILESCc1ccc2[nH]cc(CCNC(=O)c3ccc(Cn4c(=O)c(C)nc5cc(C)c(C)cc54)cc3)c2c1
InChIInChI=1S/C30H30N4O2/c1-18-5-10-26-25(13-18)24(16-32-26)11-12-31-29(35)23-8-6-22(7-9-23)17-34-28-15-20(3)19(2)14-27(28)33-21(4)30(34)36/h5-10,13-16,32H,11-12,17H2,1-4H3,(H,31,35)
InChIKeyCTGNZNUIWPSJOI-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.13
Rot. Bonds6

About N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide (PubChem CID 46324784) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide
PubChem CID46324784
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide
SMILESCc1ccc2[nH]cc(CCNC(=O)c3ccc(Cn4c(=O)c(C)nc5cc(C)c(C)cc54)cc3)c2c1
InChIInChI=1S/C30H30N4O2/c1-18-5-10-26-25(13-18)24(16-32-26)11-12-31-29(35)23-8-6-22(7-9-23)17-34-28-15-20(3)19(2)14-27(28)33-21(4)30(34)36/h5-10,13-16,32H,11-12,17H2,1-4H3,(H,31,35)
InChIKeyCTGNZNUIWPSJOI-UHFFFAOYSA-N
XLogP5.13
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide (CID 46324784) is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide is Cc1ccc2[nH]cc(CCNC(=O)c3ccc(Cn4c(=O)c(C)nc5cc(C)c(C)cc54)cc3)c2c1.
What is the InChIKey of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
The InChIKey is CTGNZNUIWPSJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-18-5-10-26-25(13-18)24(16-32-26)11-12-31-29(35)23-8-6-22(7-9-23)17-34-28-15-20(3)19(2)14-27(28)33-21(4)30(34)36/h5-10,13-16,32H,11-12,17H2,1-4H3,(H,31,35).
What are the key properties of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide?
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide has a molecular weight of 478.60 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide is sourced from PubChem (CID 46324784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).