2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid

C16H20N2O2 — CID 64597121

IUPAC2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid
SMILESCC(C)C(C)CNc1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C16H20N2O2/c1-10(2)11(3)9-17-15-8-7-12-13(16(19)20)5-4-6-14(12)18-15/h4-8,10-11H,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyWHRAKKKGWILOBV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.64
Rot. Bonds5

About 2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid

2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid (PubChem CID 64597121) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid
PubChem CID64597121
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid
SMILESCC(C)C(C)CNc1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C16H20N2O2/c1-10(2)11(3)9-17-15-8-7-12-13(16(19)20)5-4-6-14(12)18-15/h4-8,10-11H,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyWHRAKKKGWILOBV-UHFFFAOYSA-N
XLogP3.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid
CID 66107741
2-[(2-methoxy-2-methylpropyl)amino]quinoline-5-carboxylic acid
CID 104762233
2-(but-3-enylamino)quinoline-5-carboxylic acid
CID 113465730
2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid
CID 106896431
2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
CID 104828568
2-(2-prop-2-ynylsulfanylethylamino)quinoline-5-carboxylic acid
CID 106429505
2-(2-prop-2-enylsulfanylethylamino)quinoline-5-carboxylic acid
CID 106429382
2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid
CID 114546973
N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine
CID 64597219
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
2-(3-methylbutylsulfanyl)quinoline-5-carboxylic acid
CID 107747383
2-bromoquinoline-5-carboxylic acid
CID 174440420

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid?
The IUPAC name of 2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid (CID 64597121) is 2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid.
What is the SMILES notation for 2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid?
The canonical SMILES for 2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid is CC(C)C(C)CNc1ccc2c(C(=O)O)cccc2n1.
What is the InChIKey of 2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid?
The InChIKey is WHRAKKKGWILOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)11(3)9-17-15-8-7-12-13(16(19)20)5-4-6-14(12)18-15/h4-8,10-11H,9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid?
2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid is sourced from PubChem (CID 64597121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).