ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate

C20H19ClN2O2 — CID 1181324

IUPACethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1NCCc1ccccc1
InChIInChI=1S/C20H19ClN2O2/c1-2-25-20(24)16-13-23-19-15(9-6-10-17(19)21)18(16)22-12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,22,23)
InChIKeyYONHHSBSXQBQLC-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.72
Rot. Bonds6

About ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate

ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate (PubChem CID 1181324) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
PubChem CID1181324
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Nameethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1NCCc1ccccc1
InChIInChI=1S/C20H19ClN2O2/c1-2-25-20(24)16-13-23-19-15(9-6-10-17(19)21)18(16)22-12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,22,23)
InChIKeyYONHHSBSXQBQLC-UHFFFAOYSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate
CID 10066474
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074
7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid
CID 2241674
ethyl 4-(4-benzylpiperazin-1-yl)-8-chloroquinoline-3-carboxylate
CID 43840467
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
8-amino-4-(2-phenylethylamino)quinoline-3-carboxylic acid
CID 22238992

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate (CID 1181324) is ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)cccc2c1NCCc1ccccc1.
What is the InChIKey of ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate?
The InChIKey is YONHHSBSXQBQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-2-25-20(24)16-13-23-19-15(9-6-10-17(19)21)18(16)22-12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,22,23).
What are the key properties of ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate?
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate has a molecular weight of 354.84 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 1181324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).