7-propylquinoline-8-carboxylic acid

C13H13NO2 — CID 86190873

IUPAC7-propylquinoline-8-carboxylic acid
SMILESCCCc1ccc2cccnc2c1C(=O)O
InChIInChI=1S/C13H13NO2/c1-2-4-9-6-7-10-5-3-8-14-12(10)11(9)13(15)16/h3,5-8H,2,4H2,1H3,(H,15,16)
InChIKeyZSQADPRRCXGDLN-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.89
Rot. Bonds3

About 7-propylquinoline-8-carboxylic acid

7-propylquinoline-8-carboxylic acid (PubChem CID 86190873) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 7-propylquinoline-8-carboxylic acid.

Molecular Properties

Compound Name7-propylquinoline-8-carboxylic acid
PubChem CID86190873
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name7-propylquinoline-8-carboxylic acid
SMILESCCCc1ccc2cccnc2c1C(=O)O
InChIInChI=1S/C13H13NO2/c1-2-4-9-6-7-10-5-3-8-14-12(10)11(9)13(15)16/h3,5-8H,2,4H2,1H3,(H,15,16)
InChIKeyZSQADPRRCXGDLN-UHFFFAOYSA-N
XLogP2.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-propylquinolin-8-ol
CID 11604513
quinoline-7,8-dicarboxylic acid
CID 19101920
7-methoxyquinoline-8-carboxylic acid
CID 68774583
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
7-fluoroquinoline-8-carboxylic acid
CID 71721093
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
2-pentylnaphthalene-1-carboxylic acid
CID 67806914
6-quinolin-8-ylhexan-3-one
CID 132571149
acetic acid;bis(palladium);bis(quinolin-8-ol)
CID 171726767
ethane;ethene;1,10-phenanthroline-2-carboxylic acid
CID 145372120
1-(1,10-phenanthrolin-2-yl)propan-1-one
CID 71741494
ethyl 7-fluoroquinoline-8-carboxylate
CID 71721095

Frequently Asked Questions

What is the IUPAC name of 7-propylquinoline-8-carboxylic acid?
The IUPAC name of 7-propylquinoline-8-carboxylic acid (CID 86190873) is 7-propylquinoline-8-carboxylic acid.
What is the SMILES notation for 7-propylquinoline-8-carboxylic acid?
The canonical SMILES for 7-propylquinoline-8-carboxylic acid is CCCc1ccc2cccnc2c1C(=O)O.
What is the InChIKey of 7-propylquinoline-8-carboxylic acid?
The InChIKey is ZSQADPRRCXGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-4-9-6-7-10-5-3-8-14-12(10)11(9)13(15)16/h3,5-8H,2,4H2,1H3,(H,15,16).
What are the key properties of 7-propylquinoline-8-carboxylic acid?
7-propylquinoline-8-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propylquinoline-8-carboxylic acid is sourced from PubChem (CID 86190873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).