2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid

C15H18N2O3 — CID 66107741

IUPAC2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid
SMILESCC(CCO)CNc1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C15H18N2O3/c1-10(7-8-18)9-16-14-6-5-11-12(15(19)20)3-2-4-13(11)17-14/h2-6,10,18H,7-9H2,1H3,(H,16,17)(H,19,20)
InChIKeyFJEGEFZVZLLZOD-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.36
Rot. Bonds6

About 2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid

2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid (PubChem CID 66107741) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid
PubChem CID66107741
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid
SMILESCC(CCO)CNc1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C15H18N2O3/c1-10(7-8-18)9-16-14-6-5-11-12(15(19)20)3-2-4-13(11)17-14/h2-6,10,18H,7-9H2,1H3,(H,16,17)(H,19,20)
InChIKeyFJEGEFZVZLLZOD-UHFFFAOYSA-N
XLogP2.36
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid
CID 64597121
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
2-[(2-methoxy-2-methylpropyl)amino]quinoline-5-carboxylic acid
CID 104762233
4-[(6-hydrazinyl-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 80921705
2-(but-3-enylamino)quinoline-5-carboxylic acid
CID 113465730
2-(2-prop-2-ynylsulfanylethylamino)quinoline-5-carboxylic acid
CID 106429505
3-[(4-hydroxy-2-methylbutyl)sulfamoyl]-2-methylbenzoic acid
CID 66091996
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid
CID 106896431
4-[(2-chloroquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 66109317
2-(3-methylbutylsulfanyl)quinoline-5-carboxylic acid
CID 107747383
2-[(4-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877633

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid?
The IUPAC name of 2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid (CID 66107741) is 2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid is CC(CCO)CNc1ccc2c(C(=O)O)cccc2n1.
What is the InChIKey of 2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid?
The InChIKey is FJEGEFZVZLLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(7-8-18)9-16-14-6-5-11-12(15(19)20)3-2-4-13(11)17-14/h2-6,10,18H,7-9H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid?
2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid is sourced from PubChem (CID 66107741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).