2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid

C22H22N4O3 — CID 91388634

IUPAC2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid
SMILESCn1c(=O)c(-c2cn(CCCC(N)C(=O)O)c3ccccc23)nc2ccccc21
InChIInChI=1S/C22H22N4O3/c1-25-19-11-5-3-9-17(19)24-20(21(25)27)15-13-26(12-6-8-16(23)22(28)29)18-10-4-2-7-14(15)18/h2-5,7,9-11,13,16H,6,8,12,23H2,1H3,(H,28,29)
InChIKeyXXCFIYOXMWIJJD-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.75
Rot. Bonds6

About 2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid

2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid (PubChem CID 91388634) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid
PubChem CID91388634
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid
SMILESCn1c(=O)c(-c2cn(CCCC(N)C(=O)O)c3ccccc23)nc2ccccc21
InChIInChI=1S/C22H22N4O3/c1-25-19-11-5-3-9-17(19)24-20(21(25)27)15-13-26(12-6-8-16(23)22(28)29)18-10-4-2-7-14(15)18/h2-5,7,9-11,13,16H,6,8,12,23H2,1H3,(H,28,29)
InChIKeyXXCFIYOXMWIJJD-UHFFFAOYSA-N
XLogP2.75
TPSA103.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid?
The IUPAC name of 2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid (CID 91388634) is 2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid.
What is the SMILES notation for 2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid?
The canonical SMILES for 2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid is Cn1c(=O)c(-c2cn(CCCC(N)C(=O)O)c3ccccc23)nc2ccccc21.
What is the InChIKey of 2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid?
The InChIKey is XXCFIYOXMWIJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25-19-11-5-3-9-17(19)24-20(21(25)27)15-13-26(12-6-8-16(23)22(28)29)18-10-4-2-7-14(15)18/h2-5,7,9-11,13,16H,6,8,12,23H2,1H3,(H,28,29).
What are the key properties of 2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid?
2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid has a molecular weight of 390.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid is sourced from PubChem (CID 91388634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).