2-[butyl(ethyl)amino]quinoline-3-carboxylic acid

C16H20N2O2 — CID 28952092

IUPAC2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
SMILESCCCCN(CC)c1nc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H20N2O2/c1-3-5-10-18(4-2)15-13(16(19)20)11-12-8-6-7-9-14(12)17-15/h6-9,11H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyUPPJMUDGGDNCHZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.56
Rot. Bonds6

About 2-[butyl(ethyl)amino]quinoline-3-carboxylic acid

2-[butyl(ethyl)amino]quinoline-3-carboxylic acid (PubChem CID 28952092) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
PubChem CID28952092
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
SMILESCCCCN(CC)c1nc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H20N2O2/c1-3-5-10-18(4-2)15-13(16(19)20)11-12-8-6-7-9-14(12)17-15/h6-9,11H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyUPPJMUDGGDNCHZ-UHFFFAOYSA-N
XLogP3.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid
CID 61441562
2-[propan-2-yl(propyl)amino]quinoline-3-carboxylic acid
CID 43269746
3-(aminomethyl)-N,N-dibutylquinolin-2-amine
CID 28983445
2-[cyclopropyl(methyl)amino]quinoline-3-carboxylic acid
CID 43265115
2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 63535310
2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide
CID 77034239
2-[2-cyanoethyl(methyl)amino]quinoline-3-carboxylic acid
CID 28952125
3-(bromomethyl)-N,N-dibutylquinolin-2-amine
CID 107079757
6-(dibutylamino)naphthalene-1-carboxylic acid
CID 69135598
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 77034218
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
2-[methyl(2-propan-2-yloxyethyl)amino]quinoline-3-carboxylic acid
CID 81036849

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 2-[butyl(ethyl)amino]quinoline-3-carboxylic acid (CID 28952092) is 2-[butyl(ethyl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-[butyl(ethyl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 2-[butyl(ethyl)amino]quinoline-3-carboxylic acid is CCCCN(CC)c1nc2ccccc2cc1C(=O)O.
What is the InChIKey of 2-[butyl(ethyl)amino]quinoline-3-carboxylic acid?
The InChIKey is UPPJMUDGGDNCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-5-10-18(4-2)15-13(16(19)20)11-12-8-6-7-9-14(12)17-15/h6-9,11H,3-5,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[butyl(ethyl)amino]quinoline-3-carboxylic acid?
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 28952092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).