7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid

C16H12ClNO4 — CID 17036322

IUPAC7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESO=C1CC(c2cccc(Cl)c2)Cc2[nH]c(=O)c(C(=O)O)cc21
InChIInChI=1S/C16H12ClNO4/c17-10-3-1-2-8(4-10)9-5-13-11(14(19)6-9)7-12(16(21)22)15(20)18-13/h1-4,7,9H,5-6H2,(H,18,20)(H,21,22)
InChIKeyHVAXIAOBKAPELY-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.64
Rot. Bonds2

About 7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid

7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 17036322) has the molecular formula C16H12ClNO4 and a molecular weight of 317.73 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID17036322
Molecular FormulaC16H12ClNO4
Molecular Weight317.73 g/mol
Exact Mass317.05
IUPAC Name7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESO=C1CC(c2cccc(Cl)c2)Cc2[nH]c(=O)c(C(=O)O)cc21
InChIInChI=1S/C16H12ClNO4/c17-10-3-1-2-8(4-10)9-5-13-11(14(19)6-9)7-12(16(21)22)15(20)18-13/h1-4,7,9H,5-6H2,(H,18,20)(H,21,22)
InChIKeyHVAXIAOBKAPELY-UHFFFAOYSA-N
XLogP2.64
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 17036322) is 7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid is O=C1CC(c2cccc(Cl)c2)Cc2[nH]c(=O)c(C(=O)O)cc21.
What is the InChIKey of 7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is HVAXIAOBKAPELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4/c17-10-3-1-2-8(4-10)9-5-13-11(14(19)6-9)7-12(16(21)22)15(20)18-13/h1-4,7,9H,5-6H2,(H,18,20)(H,21,22).
What are the key properties of 7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 317.73 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 17036322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).