2-(propan-2-ylamino)quinoline-4-carboxylic acid

C13H14N2O2 — CID 43154773

IUPAC2-(propan-2-ylamino)quinoline-4-carboxylic acid
SMILESCC(C)Nc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C13H14N2O2/c1-8(2)14-12-7-10(13(16)17)9-5-3-4-6-11(9)15-12/h3-8H,1-2H3,(H,14,15)(H,16,17)
InChIKeyAJIDLCYDGOESPN-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.75
Rot. Bonds3

About 2-(propan-2-ylamino)quinoline-4-carboxylic acid

2-(propan-2-ylamino)quinoline-4-carboxylic acid (PubChem CID 43154773) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(propan-2-ylamino)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(propan-2-ylamino)quinoline-4-carboxylic acid
PubChem CID43154773
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(propan-2-ylamino)quinoline-4-carboxylic acid
SMILESCC(C)Nc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C13H14N2O2/c1-8(2)14-12-7-10(13(16)17)9-5-3-4-6-11(9)15-12/h3-8H,1-2H3,(H,14,15)(H,16,17)
InChIKeyAJIDLCYDGOESPN-UHFFFAOYSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
CID 104828568
2-(heptan-2-ylamino)quinoline-4-carboxylic acid
CID 63539339
2-(but-2-ynylamino)quinoline-4-carboxylic acid
CID 113464681
2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid
CID 50805962
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688497
2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid
CID 115360551
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid
CID 50806128
2-(4-iodoanilino)quinoline-4-carboxylic acid
CID 43154791
2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)quinoline-4-carboxylic acid?
The IUPAC name of 2-(propan-2-ylamino)quinoline-4-carboxylic acid (CID 43154773) is 2-(propan-2-ylamino)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(propan-2-ylamino)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(propan-2-ylamino)quinoline-4-carboxylic acid is CC(C)Nc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(propan-2-ylamino)quinoline-4-carboxylic acid?
The InChIKey is AJIDLCYDGOESPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8(2)14-12-7-10(13(16)17)9-5-3-4-6-11(9)15-12/h3-8H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(propan-2-ylamino)quinoline-4-carboxylic acid?
2-(propan-2-ylamino)quinoline-4-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)quinoline-4-carboxylic acid is sourced from PubChem (CID 43154773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).