2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid

C16H20N2O2 — CID 104828568

IUPAC2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)c2ccccc2n1)C(C)(C)C
InChIInChI=1S/C16H20N2O2/c1-10(16(2,3)4)17-14-9-12(15(19)20)11-7-5-6-8-13(11)18-14/h5-10H,1-4H3,(H,17,18)(H,19,20)
InChIKeyKKGBINHCOTUDAF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.78
Rot. Bonds3

About 2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid

2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid (PubChem CID 104828568) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
PubChem CID104828568
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)c2ccccc2n1)C(C)(C)C
InChIInChI=1S/C16H20N2O2/c1-10(16(2,3)4)17-14-9-12(15(19)20)11-7-5-6-8-13(11)18-14/h5-10H,1-4H3,(H,17,18)(H,19,20)
InChIKeyKKGBINHCOTUDAF-UHFFFAOYSA-N
XLogP3.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
2-(heptan-2-ylamino)quinoline-4-carboxylic acid
CID 63539339
2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid
CID 115360551
2-(but-2-ynylamino)quinoline-4-carboxylic acid
CID 113464681
2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid
CID 50805962
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 104828594
2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid
CID 113463887
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 62173209

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid (CID 104828568) is 2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid is CC(Nc1cc(C(=O)O)c2ccccc2n1)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid?
The InChIKey is KKGBINHCOTUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(16(2,3)4)17-14-9-12(15(19)20)11-7-5-6-8-13(11)18-14/h5-10H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid?
2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid is sourced from PubChem (CID 104828568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).