2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid

C15H18N2O3 — CID 79380053

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid
SMILESCN(CC(C)(C)O)c1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C15H18N2O3/c1-15(2,20)9-17(3)13-8-7-10-11(14(18)19)5-4-6-12(10)16-13/h4-8,20H,9H2,1-3H3,(H,18,19)
InChIKeyHBWILRTWDBZLBR-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.14
Rot. Bonds4

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid

2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid (PubChem CID 79380053) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid
PubChem CID79380053
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid
SMILESCN(CC(C)(C)O)c1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C15H18N2O3/c1-15(2,20)9-17(3)13-8-7-10-11(14(18)19)5-4-6-12(10)16-13/h4-8,20H,9H2,1-3H3,(H,18,19)
InChIKeyHBWILRTWDBZLBR-UHFFFAOYSA-N
XLogP2.14
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid (CID 79380053) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid is CN(CC(C)(C)O)c1ccc2c(C(=O)O)cccc2n1.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid?
The InChIKey is HBWILRTWDBZLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,20)9-17(3)13-8-7-10-11(14(18)19)5-4-6-12(10)16-13/h4-8,20H,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid?
2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid is sourced from PubChem (CID 79380053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).