5-propan-2-ylquinoline-2-carboxylic acid

C13H13NO2 — CID 166734564

IUPAC5-propan-2-ylquinoline-2-carboxylic acid
SMILESCC(C)c1cccc2nc(C(=O)O)ccc12
InChIInChI=1S/C13H13NO2/c1-8(2)9-4-3-5-11-10(9)6-7-12(14-11)13(15)16/h3-8H,1-2H3,(H,15,16)
InChIKeyCQQBILQPYOMZNB-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.06
Rot. Bonds2

About 5-propan-2-ylquinoline-2-carboxylic acid

5-propan-2-ylquinoline-2-carboxylic acid (PubChem CID 166734564) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-propan-2-ylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-propan-2-ylquinoline-2-carboxylic acid
PubChem CID166734564
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name5-propan-2-ylquinoline-2-carboxylic acid
SMILESCC(C)c1cccc2nc(C(=O)O)ccc12
InChIInChI=1S/C13H13NO2/c1-8(2)9-4-3-5-11-10(9)6-7-12(14-11)13(15)16/h3-8H,1-2H3,(H,15,16)
InChIKeyCQQBILQPYOMZNB-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylquinoline-2-carboxylic acid?
The IUPAC name of 5-propan-2-ylquinoline-2-carboxylic acid (CID 166734564) is 5-propan-2-ylquinoline-2-carboxylic acid.
What is the SMILES notation for 5-propan-2-ylquinoline-2-carboxylic acid?
The canonical SMILES for 5-propan-2-ylquinoline-2-carboxylic acid is CC(C)c1cccc2nc(C(=O)O)ccc12.
What is the InChIKey of 5-propan-2-ylquinoline-2-carboxylic acid?
The InChIKey is CQQBILQPYOMZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8(2)9-4-3-5-11-10(9)6-7-12(14-11)13(15)16/h3-8H,1-2H3,(H,15,16).
What are the key properties of 5-propan-2-ylquinoline-2-carboxylic acid?
5-propan-2-ylquinoline-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylquinoline-2-carboxylic acid is sourced from PubChem (CID 166734564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).