1,5-dihydroquinoline-4-carboxylic acid

C10H9NO2 — CID 155346072

IUPAC1,5-dihydroquinoline-4-carboxylic acid
SMILESO=C(O)C1=C2CC=CC=C2NC=C1
InChIInChI=1S/C10H9NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-2,4-6,11H,3H2,(H,12,13)
InChIKeyYAEFKRNALFBUIL-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.33
Rot. Bonds1

About 1,5-dihydroquinoline-4-carboxylic acid

1,5-dihydroquinoline-4-carboxylic acid (PubChem CID 155346072) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1,5-dihydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1,5-dihydroquinoline-4-carboxylic acid
PubChem CID155346072
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1,5-dihydroquinoline-4-carboxylic acid
SMILESO=C(O)C1=C2CC=CC=C2NC=C1
InChIInChI=1S/C10H9NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-2,4-6,11H,3H2,(H,12,13)
InChIKeyYAEFKRNALFBUIL-UHFFFAOYSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroquinoline-4-carboxylic acid?
The IUPAC name of 1,5-dihydroquinoline-4-carboxylic acid (CID 155346072) is 1,5-dihydroquinoline-4-carboxylic acid.
What is the SMILES notation for 1,5-dihydroquinoline-4-carboxylic acid?
The canonical SMILES for 1,5-dihydroquinoline-4-carboxylic acid is O=C(O)C1=C2CC=CC=C2NC=C1.
What is the InChIKey of 1,5-dihydroquinoline-4-carboxylic acid?
The InChIKey is YAEFKRNALFBUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-2,4-6,11H,3H2,(H,12,13).
What are the key properties of 1,5-dihydroquinoline-4-carboxylic acid?
1,5-dihydroquinoline-4-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroquinoline-4-carboxylic acid is sourced from PubChem (CID 155346072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).