2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid

C16H20N2O3 — CID 79670055

IUPAC2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
SMILESCN(C)C(C)(C)COc1nc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H20N2O3/c1-16(2,18(3)4)10-21-14-12(15(19)20)9-11-7-5-6-8-13(11)17-14/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyDKDKDEHVGFKIPQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.65
Rot. Bonds5

About 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid

2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid (PubChem CID 79670055) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
PubChem CID79670055
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
SMILESCN(C)C(C)(C)COc1nc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H20N2O3/c1-16(2,18(3)4)10-21-14-12(15(19)20)9-11-7-5-6-8-13(11)17-14/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyDKDKDEHVGFKIPQ-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-carboxylic acid
CID 79672347
1-[2-(dimethylamino)-2-methylpropoxy]isoquinoline-3-carboxylic acid
CID 79672338
4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
CID 79672341
3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid
CID 80518091
2-(3-methylphenoxy)quinoline-3-carboxylic acid
CID 28952515
2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid
CID 79680309
2-[2-(dimethylamino)-2-methylpropoxy]-5-methylbenzoic acid
CID 79680211
2-amino-1-(2-methoxyquinolin-3-yl)ethanone
CID 90036655
2-[(2-cyano-2,3-dimethylbutanoyl)amino]oxyquinoline-3-carboxylic acid
CID 88651250
2-[methyl(2-propan-2-yloxyethyl)amino]quinoline-3-carboxylic acid
CID 81036849
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbothioamide
CID 79672354
2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid
CID 43265115

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid (CID 79670055) is 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid is CN(C)C(C)(C)COc1nc2ccccc2cc1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid?
The InChIKey is DKDKDEHVGFKIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,18(3)4)10-21-14-12(15(19)20)9-11-7-5-6-8-13(11)17-14/h5-9H,10H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid?
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-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-3-carboxylic acid is sourced from PubChem (CID 79670055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).