4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid

C16H20N2O2 — CID 103462060

IUPAC4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
SMILESCCC(C)(C)CNc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-4-16(2,3)10-17-13-9-14(15(19)20)18-12-8-6-5-7-11(12)13/h5-9H,4,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFNJUSVCBWVSVKR-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.78
Rot. Bonds5

About 4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid

4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid (PubChem CID 103462060) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
PubChem CID103462060
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
SMILESCCC(C)(C)CNc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-4-16(2,3)10-17-13-9-14(15(19)20)18-12-8-6-5-7-11(12)13/h5-9H,4,10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFNJUSVCBWVSVKR-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
CID 55185061
4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid
CID 106293362
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
4-(2-ethoxyethylamino)quinoline-2-carboxylic acid
CID 55183063
4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
CID 63377479
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
CID 63373952
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041
4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid
CID 79779480
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
CID 63377476
4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid
CID 114468112
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid
CID 63377198

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid (CID 103462060) is 4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid is CCC(C)(C)CNc1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid?
The InChIKey is FNJUSVCBWVSVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-16(2,3)10-17-13-9-14(15(19)20)18-12-8-6-5-7-11(12)13/h5-9H,4,10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid?
4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 103462060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).