4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid

C16H20N2O3 — CID 79672341

IUPAC4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
SMILESCN(C)C(C)(C)COc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-16(2,18(3)4)10-21-14-11-7-5-6-8-13(11)17-9-12(14)15(19)20/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyIHQUMDMBXJSNNI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.65
Rot. Bonds5

About 4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid

4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid (PubChem CID 79672341) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
PubChem CID79672341
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
SMILESCN(C)C(C)(C)COc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-16(2,18(3)4)10-21-14-11-7-5-6-8-13(11)17-9-12(14)15(19)20/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyIHQUMDMBXJSNNI-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
4-butoxyquinoline-3-carboxylic acid
CID 61339357
4-pentoxyquinoline-3-carboxylic acid
CID 61339358
4-[2-[cyclopropyl(methyl)amino]ethoxy]quinoline-3-carboxylic acid
CID 102739940
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
CID 79670055
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-but-3-enoxyquinoline-3-carboxylic acid
CID 61341893
4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid
CID 61341531
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
1-[2-(dimethylamino)-2-methylpropoxy]isoquinoline-3-carboxylic acid
CID 79672338
4-(4-chlorophenoxy)quinoline-3-carboxylic acid
CID 61339884

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid (CID 79672341) is 4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid is CN(C)C(C)(C)COc1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid?
The InChIKey is IHQUMDMBXJSNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,18(3)4)10-21-14-11-7-5-6-8-13(11)17-9-12(14)15(19)20/h5-9H,10H2,1-4H3,(H,19,20).
What are the key properties of 4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid?
4-[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 4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid is sourced from PubChem (CID 79672341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).