3,4-dihydroquinoline-2-carboxylic acid

C10H9NO2 — CID 54295700

IUPAC3,4-dihydroquinoline-2-carboxylic acid
SMILESO=C(O)C1=Nc2ccccc2CC1
InChIInChI=1S/C10H9NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,12,13)
InChIKeySAQGYDLKJUVOKX-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.79
Rot. Bonds1

About 3,4-dihydroquinoline-2-carboxylic acid

3,4-dihydroquinoline-2-carboxylic acid (PubChem CID 54295700) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3,4-dihydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydroquinoline-2-carboxylic acid
PubChem CID54295700
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3,4-dihydroquinoline-2-carboxylic acid
SMILESO=C(O)C1=Nc2ccccc2CC1
InChIInChI=1S/C10H9NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,12,13)
InChIKeySAQGYDLKJUVOKX-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroquinoline-2-carboxylic acid?
The IUPAC name of 3,4-dihydroquinoline-2-carboxylic acid (CID 54295700) is 3,4-dihydroquinoline-2-carboxylic acid.
What is the SMILES notation for 3,4-dihydroquinoline-2-carboxylic acid?
The canonical SMILES for 3,4-dihydroquinoline-2-carboxylic acid is O=C(O)C1=Nc2ccccc2CC1.
What is the InChIKey of 3,4-dihydroquinoline-2-carboxylic acid?
The InChIKey is SAQGYDLKJUVOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,12,13).
What are the key properties of 3,4-dihydroquinoline-2-carboxylic acid?
3,4-dihydroquinoline-2-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroquinoline-2-carboxylic acid is sourced from PubChem (CID 54295700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).