2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid

C16H18N2O2 — CID 43332286

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid
SMILESC=C(C)CN(CC)c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C16H18N2O2/c1-4-18(10-11(2)3)15-9-13(16(19)20)12-7-5-6-8-14(12)17-15/h5-9H,2,4,10H2,1,3H3,(H,19,20)
InChIKeyQGZXDYTZDFSWIH-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.34
Rot. Bonds5

About 2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid

2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid (PubChem CID 43332286) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid
PubChem CID43332286
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid
SMILESC=C(C)CN(CC)c1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C16H18N2O2/c1-4-18(10-11(2)3)15-9-13(16(19)20)12-7-5-6-8-14(12)17-15/h5-9H,2,4,10H2,1,3H3,(H,19,20)
InChIKeyQGZXDYTZDFSWIH-UHFFFAOYSA-N
XLogP3.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid
CID 43375386
2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine
CID 63374388
2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380095
N-cyclopropyl-2-[methyl(2-methylprop-2-enyl)amino]quinoline-4-carboxamide
CID 133439197
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
2-chloro-4-[ethyl(2-methylprop-2-enyl)amino]benzoic acid
CID 55153564
4-(aminomethyl)-N,N-diethylquinolin-2-amine
CID 62299448
2-[ethyl(quinoxalin-2-yl)amino]acetic acid
CID 55064040
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
3-methyl-1-(2-methylquinolin-4-yl)but-3-en-1-one
CID 105112623

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid (CID 43332286) is 2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid is C=C(C)CN(CC)c1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid?
The InChIKey is QGZXDYTZDFSWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-18(10-11(2)3)15-9-13(16(19)20)12-7-5-6-8-14(12)17-15/h5-9H,2,4,10H2,1,3H3,(H,19,20).
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid?
2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid is sourced from PubChem (CID 43332286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).