8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid

C21H15ClN2O5 — CID 132546331

IUPAC8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid
SMILESCOC(=O)C1=C2C(=O)Nc3ccccc3N2C(C(=O)O)=CC1c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O5/c1-29-21(28)17-13(11-6-8-12(22)9-7-11)10-16(20(26)27)24-15-5-3-2-4-14(15)23-19(25)18(17)24/h2-10,13H,1H3,(H,23,25)(H,26,27)
InChIKeyYBGKPWZOPRQOPO-UHFFFAOYSA-N
MW410.81 g/mol
LogP3.29
Rot. Bonds3

About 8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid

8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid (PubChem CID 132546331) has the molecular formula C21H15ClN2O5 and a molecular weight of 410.81 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid.

Molecular Properties

Compound Name8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid
PubChem CID132546331
Molecular FormulaC21H15ClN2O5
Molecular Weight410.81 g/mol
Exact Mass410.07
IUPAC Name8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid
SMILESCOC(=O)C1=C2C(=O)Nc3ccccc3N2C(C(=O)O)=CC1c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O5/c1-29-21(28)17-13(11-6-8-12(22)9-7-11)10-16(20(26)27)24-15-5-3-2-4-14(15)23-19(25)18(17)24/h2-10,13H,1H3,(H,23,25)(H,26,27)
InChIKeyYBGKPWZOPRQOPO-UHFFFAOYSA-N
XLogP3.29
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid?
The IUPAC name of 8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid (CID 132546331) is 8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid.
What is the SMILES notation for 8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid?
The canonical SMILES for 8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid is COC(=O)C1=C2C(=O)Nc3ccccc3N2C(C(=O)O)=CC1c1ccc(Cl)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid?
The InChIKey is YBGKPWZOPRQOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O5/c1-29-21(28)17-13(11-6-8-12(22)9-7-11)10-16(20(26)27)24-15-5-3-2-4-14(15)23-19(25)18(17)24/h2-10,13H,1H3,(H,23,25)(H,26,27).
What are the key properties of 8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid?
8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid has a molecular weight of 410.81 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-7-methoxycarbonyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-10-carboxylic acid is sourced from PubChem (CID 132546331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).