8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid

C13H11NO2 — CID 54247159

IUPAC8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid
SMILESO=C(O)C1Cc2cccc3ccnc(c23)C1
InChIInChI=1S/C13H11NO2/c15-13(16)10-6-9-3-1-2-8-4-5-14-11(7-10)12(8)9/h1-5,10H,6-7H2,(H,15,16)
InChIKeyQUBNXYWWDWRLJQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.03
Rot. Bonds1

About 8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid

8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid (PubChem CID 54247159) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid
PubChem CID54247159
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid
SMILESO=C(O)C1Cc2cccc3ccnc(c23)C1
InChIInChI=1S/C13H11NO2/c15-13(16)10-6-9-3-1-2-8-4-5-14-11(7-10)12(8)9/h1-5,10H,6-7H2,(H,15,16)
InChIKeyQUBNXYWWDWRLJQ-UHFFFAOYSA-N
XLogP2.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid?
The IUPAC name of 8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid (CID 54247159) is 8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid.
What is the SMILES notation for 8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid?
The canonical SMILES for 8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid is O=C(O)C1Cc2cccc3ccnc(c23)C1.
What is the InChIKey of 8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid?
The InChIKey is QUBNXYWWDWRLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(16)10-6-9-3-1-2-8-4-5-14-11(7-10)12(8)9/h1-5,10H,6-7H2,(H,15,16).
What are the key properties of 8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid?
8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid is sourced from PubChem (CID 54247159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).