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

C17H22N2O2 — CID 63535310

IUPAC2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid
SMILESCC(C)CN(c1nc2ccccc2cc1C(=O)O)C(C)C
InChIInChI=1S/C17H22N2O2/c1-11(2)10-19(12(3)4)16-14(17(20)21)9-13-7-5-6-8-15(13)18-16/h5-9,11-12H,10H2,1-4H3,(H,20,21)
InChIKeyGBZFUKRKFDLRBB-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.80
Rot. Bonds5

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

2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid (PubChem CID 63535310) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid
PubChem CID63535310
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid
SMILESCC(C)CN(c1nc2ccccc2cc1C(=O)O)C(C)C
InChIInChI=1S/C17H22N2O2/c1-11(2)10-19(12(3)4)16-14(17(20)21)9-13-7-5-6-8-15(13)18-16/h5-9,11-12H,10H2,1-4H3,(H,20,21)
InChIKeyGBZFUKRKFDLRBB-UHFFFAOYSA-N
XLogP3.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid (CID 63535310) is 2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid is CC(C)CN(c1nc2ccccc2cc1C(=O)O)C(C)C.
What is the InChIKey of 2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
The InChIKey is GBZFUKRKFDLRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)10-19(12(3)4)16-14(17(20)21)9-13-7-5-6-8-15(13)18-16/h5-9,11-12H,10H2,1-4H3,(H,20,21).
What are the key properties of 2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid?
2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 63535310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).