3,8a-dihydroquinoline-5-carboxylic acid

C10H9NO2 — CID 123862285

IUPAC3,8a-dihydroquinoline-5-carboxylic acid
SMILESO=C(O)C1=CC=CC2N=CCC=C12
InChIInChI=1S/C10H9NO2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9/h1,3-6,9H,2H2,(H,12,13)
InChIKeyRWIXUPTZHJOWPQ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.34
Rot. Bonds1

About 3,8a-dihydroquinoline-5-carboxylic acid

3,8a-dihydroquinoline-5-carboxylic acid (PubChem CID 123862285) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3,8a-dihydroquinoline-5-carboxylic acid.

Molecular Properties

Compound Name3,8a-dihydroquinoline-5-carboxylic acid
PubChem CID123862285
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3,8a-dihydroquinoline-5-carboxylic acid
SMILESO=C(O)C1=CC=CC2N=CCC=C12
InChIInChI=1S/C10H9NO2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9/h1,3-6,9H,2H2,(H,12,13)
InChIKeyRWIXUPTZHJOWPQ-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hydroxy-4a,8a-dihydroquinolin-1-ium-4-carboxylic acid
CID 59897666
6,7-Dihydroquinoline-8-carboxylic acid
CID 68834677
2-Methyl-2,3-dihydropyridine-4-carboxylic acid
CID 118281598
2,3-Dihydroquinoline-5-carboxylic acid
CID 150637150
(2E,3Z)-2,3-bis(prop-2-enylidene)pyridine-4-carboxylic acid
CID 143124965

Frequently Asked Questions

What is the IUPAC name of 3,8a-dihydroquinoline-5-carboxylic acid?
The IUPAC name of 3,8a-dihydroquinoline-5-carboxylic acid (CID 123862285) is 3,8a-dihydroquinoline-5-carboxylic acid.
What is the SMILES notation for 3,8a-dihydroquinoline-5-carboxylic acid?
The canonical SMILES for 3,8a-dihydroquinoline-5-carboxylic acid is O=C(O)C1=CC=CC2N=CCC=C12.
What is the InChIKey of 3,8a-dihydroquinoline-5-carboxylic acid?
The InChIKey is RWIXUPTZHJOWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9/h1,3-6,9H,2H2,(H,12,13).
What are the key properties of 3,8a-dihydroquinoline-5-carboxylic acid?
3,8a-dihydroquinoline-5-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8a-dihydroquinoline-5-carboxylic acid is sourced from PubChem (CID 123862285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).