2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid

C14H15NO3 — CID 9350367

IUPAC2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid
SMILESCC(C)(O)Cc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C14H15NO3/c1-14(2,18)8-9-7-11(13(16)17)10-5-3-4-6-12(10)15-9/h3-7,18H,8H2,1-2H3,(H,16,17)
InChIKeyVKNQSULFWZCJFD-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.25
Rot. Bonds3

About 2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid

2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid (PubChem CID 9350367) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid
PubChem CID9350367
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid
SMILESCC(C)(O)Cc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C14H15NO3/c1-14(2,18)8-9-7-11(13(16)17)10-5-3-4-6-12(10)15-9/h3-7,18H,8H2,1-2H3,(H,16,17)
InChIKeyVKNQSULFWZCJFD-UHFFFAOYSA-N
XLogP2.25
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
CID 79672347
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
2-(but-2-ynylamino)quinoline-4-carboxylic acid
CID 113464681
2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid
CID 115360551
2-methylsulfanylquinoline-4-carboxylic acid
CID 15179620
2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
CID 104828568
2-(2-methylpropyl)quinoline-4-carbohydrazide
CID 4167752
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid
CID 79380053
2-[(4-methylquinolin-2-yl)methylsulfanyl]benzoic acid
CID 26608952

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid (CID 9350367) is 2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid is CC(C)(O)Cc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid?
The InChIKey is VKNQSULFWZCJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-14(2,18)8-9-7-11(13(16)17)10-5-3-4-6-12(10)15-9/h3-7,18H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid?
2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 9350367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).