2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid

C15H18N2O3 — CID 115360551

IUPAC2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid
SMILESCC(C)(CO)CNc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H18N2O3/c1-15(2,9-18)8-16-13-7-11(14(19)20)10-5-3-4-6-12(10)17-13/h3-7,18H,8-9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyLAWNGYUSCAVYJL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.36
Rot. Bonds5

About 2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid

2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid (PubChem CID 115360551) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid
PubChem CID115360551
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid
SMILESCC(C)(CO)CNc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H18N2O3/c1-15(2,9-18)8-16-13-7-11(14(19)20)10-5-3-4-6-12(10)17-13/h3-7,18H,8-9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyLAWNGYUSCAVYJL-UHFFFAOYSA-N
XLogP2.36
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(but-2-ynylamino)quinoline-4-carboxylic acid
CID 113464681
2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
CID 104828568
3-[(4-carbamothioylquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277562
2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid
CID 113463887
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid
CID 114756945
2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid
CID 50805962
2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 62173209
2-[(2-methoxy-2-methylpropyl)amino]quinoline-5-carboxylic acid
CID 104762233
2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide
CID 63886284
2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid
CID 9350367

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid (CID 115360551) is 2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid is CC(C)(CO)CNc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid?
The InChIKey is LAWNGYUSCAVYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,9-18)8-16-13-7-11(14(19)20)10-5-3-4-6-12(10)17-13/h3-7,18H,8-9H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid?
2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid is sourced from PubChem (CID 115360551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).