2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid

C16H20N2O2 — CID 43269746

IUPAC2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid
SMILESCCCN(c1nc2ccccc2cc1C(=O)O)C(C)C
InChIInChI=1S/C16H20N2O2/c1-4-9-18(11(2)3)15-13(16(19)20)10-12-7-5-6-8-14(12)17-15/h5-8,10-11H,4,9H2,1-3H3,(H,19,20)
InChIKeyGXTNNJSQJMRMDW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.56
Rot. Bonds5

About 2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid

2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid (PubChem CID 43269746) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid
PubChem CID43269746
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid
SMILESCCCN(c1nc2ccccc2cc1C(=O)O)C(C)C
InChIInChI=1S/C16H20N2O2/c1-4-9-18(11(2)3)15-13(16(19)20)10-12-7-5-6-8-14(12)17-15/h5-8,10-11H,4,9H2,1-3H3,(H,19,20)
InChIKeyGXTNNJSQJMRMDW-UHFFFAOYSA-N
XLogP3.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid (CID 43269746) is 2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid is CCCN(c1nc2ccccc2cc1C(=O)O)C(C)C.
What is the InChIKey of 2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid?
The InChIKey is GXTNNJSQJMRMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-9-18(11(2)3)15-13(16(19)20)10-12-7-5-6-8-14(12)17-15/h5-8,10-11H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid?
2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 43269746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).