3-ethyl-2-propylquinoline-4-carboxylic acid

C15H17NO2 — CID 2384587

IUPAC3-ethyl-2-propylquinoline-4-carboxylic acid
SMILESCCCc1nc2ccccc2c(C(=O)O)c1CC
InChIInChI=1S/C15H17NO2/c1-3-7-12-10(4-2)14(15(17)18)11-8-5-6-9-13(11)16-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyUVUBXMWGFOOGNP-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.45
Rot. Bonds4

About 3-ethyl-2-propylquinoline-4-carboxylic acid

3-ethyl-2-propylquinoline-4-carboxylic acid (PubChem CID 2384587) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-ethyl-2-propylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-propylquinoline-4-carboxylic acid
PubChem CID2384587
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-ethyl-2-propylquinoline-4-carboxylic acid
SMILESCCCc1nc2ccccc2c(C(=O)O)c1CC
InChIInChI=1S/C15H17NO2/c1-3-7-12-10(4-2)14(15(17)18)11-8-5-6-9-13(11)16-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyUVUBXMWGFOOGNP-UHFFFAOYSA-N
XLogP3.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propylquinoline-4-carboxylic acid?
The IUPAC name of 3-ethyl-2-propylquinoline-4-carboxylic acid (CID 2384587) is 3-ethyl-2-propylquinoline-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-propylquinoline-4-carboxylic acid?
The canonical SMILES for 3-ethyl-2-propylquinoline-4-carboxylic acid is CCCc1nc2ccccc2c(C(=O)O)c1CC.
What is the InChIKey of 3-ethyl-2-propylquinoline-4-carboxylic acid?
The InChIKey is UVUBXMWGFOOGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-7-12-10(4-2)14(15(17)18)11-8-5-6-9-13(11)16-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 3-ethyl-2-propylquinoline-4-carboxylic acid?
3-ethyl-2-propylquinoline-4-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propylquinoline-4-carboxylic acid is sourced from PubChem (CID 2384587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).