4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid

C16H16N2O3 — CID 53213288

IUPAC4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid
SMILESCc1ccc2c(c1)-n1cccc1CN2C(=O)CCC(=O)O
InChIInChI=1S/C16H16N2O3/c1-11-4-5-13-14(9-11)17-8-2-3-12(17)10-18(13)15(19)6-7-16(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)
InChIKeySPEWWWPTIUKMCP-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.50
Rot. Bonds3

About 4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid

4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid (PubChem CID 53213288) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid
PubChem CID53213288
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid
SMILESCc1ccc2c(c1)-n1cccc1CN2C(=O)CCC(=O)O
InChIInChI=1S/C16H16N2O3/c1-11-4-5-13-14(9-11)17-8-2-3-12(17)10-18(13)15(19)6-7-16(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)
InChIKeySPEWWWPTIUKMCP-UHFFFAOYSA-N
XLogP2.50
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid (CID 53213288) is 4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid is Cc1ccc2c(c1)-n1cccc1CN2C(=O)CCC(=O)O.
What is the InChIKey of 4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid?
The InChIKey is SPEWWWPTIUKMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-4-5-13-14(9-11)17-8-2-3-12(17)10-18(13)15(19)6-7-16(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21).
What are the key properties of 4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid?
4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxobutanoic acid is sourced from PubChem (CID 53213288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).