6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C12H16N2O2 — CID 82392708

IUPAC6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCN(C)c1ccc2c(c1)CCC(C(=O)O)N2
InChIInChI=1S/C12H16N2O2/c1-14(2)9-4-6-10-8(7-9)3-5-11(13-10)12(15)16/h4,6-7,11,13H,3,5H2,1-2H3,(H,15,16)
InChIKeyOUJOLWBXPIEVGG-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.56
Rot. Bonds2

About 6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 82392708) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID82392708
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCN(C)c1ccc2c(c1)CCC(C(=O)O)N2
InChIInChI=1S/C12H16N2O2/c1-14(2)9-4-6-10-8(7-9)3-5-11(13-10)12(15)16/h4,6-7,11,13H,3,5H2,1-2H3,(H,15,16)
InChIKeyOUJOLWBXPIEVGG-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 82392708) is 6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is CN(C)c1ccc2c(c1)CCC(C(=O)O)N2.
What is the InChIKey of 6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is OUJOLWBXPIEVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(2)9-4-6-10-8(7-9)3-5-11(13-10)12(15)16/h4,6-7,11,13H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 82392708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).