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

C25H28N4O2 — CID 50781098

IUPACN-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1ccc2[nH]cc(CCNC(=O)CCn3c(=O)c(C)nc4cc(C)c(C)cc43)c2c1
InChIInChI=1S/C25H28N4O2/c1-15-5-6-21-20(11-15)19(14-27-21)7-9-26-24(30)8-10-29-23-13-17(3)16(2)12-22(23)28-18(4)25(29)31/h5-6,11-14,27H,7-10H2,1-4H3,(H,26,30)
InChIKeyQOAWUIHLIMCWFM-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.86
Rot. Bonds6

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

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (PubChem CID 50781098) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
PubChem CID50781098
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1ccc2[nH]cc(CCNC(=O)CCn3c(=O)c(C)nc4cc(C)c(C)cc43)c2c1
InChIInChI=1S/C25H28N4O2/c1-15-5-6-21-20(11-15)19(14-27-21)7-9-26-24(30)8-10-29-23-13-17(3)16(2)12-22(23)28-18(4)25(29)31/h5-6,11-14,27H,7-10H2,1-4H3,(H,26,30)
InChIKeyQOAWUIHLIMCWFM-UHFFFAOYSA-N
XLogP3.86
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324568
N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324586
N-[(2-chlorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324487
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
N-(2-morpholin-4-ylethyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324584
N-[(3-fluorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324640
2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 53012897
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324614
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide
CID 17272014
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295554

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide (CID 50781098) is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is Cc1ccc2[nH]cc(CCNC(=O)CCn3c(=O)c(C)nc4cc(C)c(C)cc43)c2c1.
What is the InChIKey of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
The InChIKey is QOAWUIHLIMCWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-15-5-6-21-20(11-15)19(14-27-21)7-9-26-24(30)8-10-29-23-13-17(3)16(2)12-22(23)28-18(4)25(29)31/h5-6,11-14,27H,7-10H2,1-4H3,(H,26,30).
What are the key properties of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide?
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide has a molecular weight of 416.53 g/mol, XLogP of 3.86, 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]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 50781098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).