4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid

C16H18N2O3 — CID 114468112

IUPAC4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid
SMILESC=C(C)COCCNc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-11(2)10-21-8-7-17-14-9-15(16(19)20)18-13-6-4-3-5-12(13)14/h3-6,9H,1,7-8,10H2,2H3,(H,17,18)(H,19,20)
InChIKeySMYVLKKLUQRZCC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.94
Rot. Bonds7

About 4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid

4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid (PubChem CID 114468112) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid
PubChem CID114468112
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid
SMILESC=C(C)COCCNc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-11(2)10-21-8-7-17-14-9-15(16(19)20)18-13-6-4-3-5-12(13)14/h3-6,9H,1,7-8,10H2,2H3,(H,17,18)(H,19,20)
InChIKeySMYVLKKLUQRZCC-UHFFFAOYSA-N
XLogP2.94
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyethylamino)quinoline-2-carboxylic acid
CID 55183063
4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
CID 63377476
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
CID 63373952
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041
2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
CID 106239415
4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
CID 63377479
4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
CID 55185061
4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide
CID 63377460
5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid
CID 114468082
6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine
CID 133369297

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid?
The IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid (CID 114468112) is 4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid is C=C(C)COCCNc1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid?
The InChIKey is SMYVLKKLUQRZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)10-21-8-7-17-14-9-15(16(19)20)18-13-6-4-3-5-12(13)14/h3-6,9H,1,7-8,10H2,2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid?
4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid is sourced from PubChem (CID 114468112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).