1,2,3,4-tetrahydroquinoline-8-carboxylic acid

C10H11NO2 — CID 2785589

IUPAC1,2,3,4-tetrahydroquinoline-8-carboxylic acid
SMILESO=C(O)c1cccc2c1NCCC2
InChIInChI=1S/C10H11NO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6H2,(H,12,13)
InChIKeyPLTGFWDGFXPMCJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.74
Rot. Bonds1

About 1,2,3,4-tetrahydroquinoline-8-carboxylic acid

1,2,3,4-tetrahydroquinoline-8-carboxylic acid (PubChem CID 2785589) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoline-8-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoline-8-carboxylic acid
PubChem CID2785589
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1,2,3,4-tetrahydroquinoline-8-carboxylic acid
SMILESO=C(O)c1cccc2c1NCCC2
InChIInChI=1S/C10H11NO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6H2,(H,12,13)
InChIKeyPLTGFWDGFXPMCJ-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Phenylanthranilic Acid
CID 4386
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
N-Methylanthranilic acid
CID 67069
Formylanthranilic acid
CID 101399
N-(2-carboxyphenyl)glycine
CID 69161
Diphenylamine-2,2'-dicarboxylic acid
CID 11371
2-(Benzoylamino)benzoic acid
CID 68482
N-(3-Methylphenyl)anthranilic acid
CID 85472
N-(4-Methylphenyl)anthranilic acid
CID 152155
2-((2-Hydroxyethyl)amino)benzoic acid
CID 117636
4-Carboxy-9-acridanone
CID 3560758

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
The IUPAC name of 1,2,3,4-tetrahydroquinoline-8-carboxylic acid (CID 2785589) is 1,2,3,4-tetrahydroquinoline-8-carboxylic acid.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
The canonical SMILES for 1,2,3,4-tetrahydroquinoline-8-carboxylic acid is O=C(O)c1cccc2c1NCCC2.
What is the InChIKey of 1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
The InChIKey is PLTGFWDGFXPMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6H2,(H,12,13).
What are the key properties of 1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
1,2,3,4-tetrahydroquinoline-8-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinoline-8-carboxylic acid is sourced from PubChem (CID 2785589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).