ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate

C20H20N2O2 — CID 709117

IUPACethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1NCCc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-2-24-20(23)17-14-22-18-11-7-6-10-16(18)19(17)21-13-12-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,21,22)
InChIKeyOKHVYJJRZQBZPW-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.07
Rot. Bonds6

About ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate

ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate (PubChem CID 709117) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
PubChem CID709117
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Nameethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1NCCc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-2-24-20(23)17-14-22-18-11-7-6-10-16(18)19(17)21-13-12-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,21,22)
InChIKeyOKHVYJJRZQBZPW-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate
CID 13295816
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002
ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]quinoline-3-carboxylate
CID 49429094
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate
CID 10066474
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate
CID 94374245
ethyl 4-(2-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 133277740
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate (CID 709117) is ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1NCCc1ccccc1.
What is the InChIKey of ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate?
The InChIKey is OKHVYJJRZQBZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-24-20(23)17-14-22-18-11-7-6-10-16(18)19(17)21-13-12-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,21,22).
What are the key properties of ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate?
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 709117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).