3,7-dihydroquinoline-3-carboxylic acid

C10H9NO2 — CID 90007711

IUPAC3,7-dihydroquinoline-3-carboxylic acid
SMILESO=C(O)C1C=NC2=CCC=CC2=C1
InChIInChI=1S/C10H9NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1,3-6,8H,2H2,(H,12,13)
InChIKeyWRQQLERFXMVVJY-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.54
Rot. Bonds1

About 3,7-dihydroquinoline-3-carboxylic acid

3,7-dihydroquinoline-3-carboxylic acid (PubChem CID 90007711) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3,7-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name3,7-dihydroquinoline-3-carboxylic acid
PubChem CID90007711
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3,7-dihydroquinoline-3-carboxylic acid
SMILESO=C(O)C1C=NC2=CCC=CC2=C1
InChIInChI=1S/C10H9NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1,3-6,8H,2H2,(H,12,13)
InChIKeyWRQQLERFXMVVJY-UHFFFAOYSA-N
XLogP1.54
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 3,7-dihydroquinoline-3-carboxylic acid (CID 90007711) is 3,7-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 3,7-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 3,7-dihydroquinoline-3-carboxylic acid is O=C(O)C1C=NC2=CCC=CC2=C1.
What is the InChIKey of 3,7-dihydroquinoline-3-carboxylic acid?
The InChIKey is WRQQLERFXMVVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1,3-6,8H,2H2,(H,12,13).
What are the key properties of 3,7-dihydroquinoline-3-carboxylic acid?
3,7-dihydroquinoline-3-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 90007711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).