2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid

C16H13NO4 — CID 2053933

IUPAC2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESO=C1CCCc2c1cc(C(=O)O)c(=O)n2-c1ccccc1
InChIInChI=1S/C16H13NO4/c18-14-8-4-7-13-11(14)9-12(16(20)21)15(19)17(13)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,20,21)
InChIKeyFJSNSFADDNXWFS-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.05
Rot. Bonds2

About 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid

2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid (PubChem CID 2053933) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid
PubChem CID2053933
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESO=C1CCCc2c1cc(C(=O)O)c(=O)n2-c1ccccc1
InChIInChI=1S/C16H13NO4/c18-14-8-4-7-13-11(14)9-12(16(20)21)15(19)17(13)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,20,21)
InChIKeyFJSNSFADDNXWFS-UHFFFAOYSA-N
XLogP2.05
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The IUPAC name of 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid (CID 2053933) is 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The canonical SMILES for 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid is O=C1CCCc2c1cc(C(=O)O)c(=O)n2-c1ccccc1.
What is the InChIKey of 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The InChIKey is FJSNSFADDNXWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-14-8-4-7-13-11(14)9-12(16(20)21)15(19)17(13)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,20,21).
What are the key properties of 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid is sourced from PubChem (CID 2053933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).