2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid

C16H20N2O3 — CID 79672347

IUPAC2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
SMILESCN(C)C(C)(C)COc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C16H20N2O3/c1-16(2,18(3)4)10-21-14-9-12(15(19)20)11-7-5-6-8-13(11)17-14/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyMJIUBMITHWLFPE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.65
Rot. Bonds5

About 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid

2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid (PubChem CID 79672347) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
PubChem CID79672347
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
SMILESCN(C)C(C)(C)COc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C16H20N2O3/c1-16(2,18(3)4)10-21-14-9-12(15(19)20)11-7-5-6-8-13(11)17-14/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyMJIUBMITHWLFPE-UHFFFAOYSA-N
XLogP2.65
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbothioamide
CID 79672354
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
CID 79672341
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
CID 79670055
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbonitrile
CID 79679288
2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
CID 43332241
1-[2-(dimethylamino)-2-methylpropoxy]isoquinoline-3-carboxylic acid
CID 79672338
2-(2-methylpentoxy)quinoline-4-carboxylic acid
CID 103283216
2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid
CID 9350367
2-(trifluoromethylsulfonyloxy)quinoline-4-carboxylic acid
CID 123591424
N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide
CID 155529565
2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
CID 152623988

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid (CID 79672347) is 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid is CN(C)C(C)(C)COc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid?
The InChIKey is MJIUBMITHWLFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,18(3)4)10-21-14-9-12(15(19)20)11-7-5-6-8-13(11)17-14/h5-9H,10H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid?
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid is sourced from PubChem (CID 79672347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).