2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid

C19H19NO4 — CID 17036315

IUPAC2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC(C)c1ccc(C2CC(=O)c3cc(C(=O)O)c(=O)[nH]c3C2)cc1
InChIInChI=1S/C19H19NO4/c1-10(2)11-3-5-12(6-4-11)13-7-16-14(17(21)8-13)9-15(19(23)24)18(22)20-16/h3-6,9-10,13H,7-8H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyRQWRVNUEVVLNFT-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.11
Rot. Bonds3

About 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid

2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 17036315) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID17036315
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC(C)c1ccc(C2CC(=O)c3cc(C(=O)O)c(=O)[nH]c3C2)cc1
InChIInChI=1S/C19H19NO4/c1-10(2)11-3-5-12(6-4-11)13-7-16-14(17(21)8-13)9-15(19(23)24)18(22)20-16/h3-6,9-10,13H,7-8H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyRQWRVNUEVVLNFT-UHFFFAOYSA-N
XLogP3.11
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 13572418
7-(4-Fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 17036314
7-(3-Chlorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 17036322
3-(2,2-Dimethylpropanoyl)-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 76308484
Ethyl 7-(4-fluorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 16426799
Methyl 2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 17036300
Ethyl 2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 13133975
Methyl 7-(4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 17036304
methyl (7S)-7-(4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 29159256
methyl (7R)-7-(4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 29159257
(7S)-7-(4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 29159282
(7R)-7-(4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 29159286

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 17036315) is 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid is CC(C)c1ccc(C2CC(=O)c3cc(C(=O)O)c(=O)[nH]c3C2)cc1.
What is the InChIKey of 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is RQWRVNUEVVLNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-10(2)11-3-5-12(6-4-11)13-7-16-14(17(21)8-13)9-15(19(23)24)18(22)20-16/h3-6,9-10,13H,7-8H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 17036315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).