4-[ethyl(methyl)amino]quinoline-3-carboxylic acid

C13H14N2O2 — CID 61340798

IUPAC4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
SMILESCCN(C)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C13H14N2O2/c1-3-15(2)12-9-6-4-5-7-11(9)14-8-10(12)13(16)17/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyZBSOFLCYJLTNMM-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.39
Rot. Bonds3

About 4-[ethyl(methyl)amino]quinoline-3-carboxylic acid

4-[ethyl(methyl)amino]quinoline-3-carboxylic acid (PubChem CID 61340798) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
PubChem CID61340798
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
SMILESCCN(C)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C13H14N2O2/c1-3-15(2)12-9-6-4-5-7-11(9)14-8-10(12)13(16)17/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyZBSOFLCYJLTNMM-UHFFFAOYSA-N
XLogP2.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980
4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid
CID 61341531
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid
CID 63228175
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
CID 115319371
2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
CID 61012802
4-butoxyquinoline-3-carboxylic acid
CID 61339357
4-[2-(dimethylamino)-2-methylpropoxy]quinoline-3-carboxylic acid
CID 79672341
ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate
CID 133277761

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[ethyl(methyl)amino]quinoline-3-carboxylic acid (CID 61340798) is 4-[ethyl(methyl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(methyl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(methyl)amino]quinoline-3-carboxylic acid is CCN(C)c1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-[ethyl(methyl)amino]quinoline-3-carboxylic acid?
The InChIKey is ZBSOFLCYJLTNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-15(2)12-9-6-4-5-7-11(9)14-8-10(12)13(16)17/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-[ethyl(methyl)amino]quinoline-3-carboxylic acid?
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 61340798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).