ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate

C17H14Cl2N2O3 — CID 1189481

IUPACethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCc1ccco1
InChIInChI=1S/C17H14Cl2N2O3/c1-2-23-17(22)13-9-21-16-12(6-10(18)7-14(16)19)15(13)20-8-11-4-3-5-24-11/h3-7,9H,2,8H2,1H3,(H,20,21)
InChIKeyZCHSWYMBONMXRK-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.92
Rot. Bonds5

About ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate

ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate (PubChem CID 1189481) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
PubChem CID1189481
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Nameethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCc1ccco1
InChIInChI=1S/C17H14Cl2N2O3/c1-2-23-17(22)13-9-21-16-12(6-10(18)7-14(16)19)15(13)20-8-11-4-3-5-24-11/h3-7,9H,2,8H2,1H3,(H,20,21)
InChIKeyZCHSWYMBONMXRK-UHFFFAOYSA-N
XLogP4.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-fluoro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 732004
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452
ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784
ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate
CID 23853494
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791591
ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
CID 81256553
ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate
CID 10068907
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
CID 3354209
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate (CID 1189481) is ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCc1ccco1.
What is the InChIKey of ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
The InChIKey is ZCHSWYMBONMXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-2-23-17(22)13-9-21-16-12(6-10(18)7-14(16)19)15(13)20-8-11-4-3-5-24-11/h3-7,9H,2,8H2,1H3,(H,20,21).
What are the key properties of ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate?
ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate has a molecular weight of 365.22 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 1189481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).