ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate

C15H16F2N2O2 — CID 63486440

IUPACethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
SMILESCCCNc1c(C(=O)OCC)cnc2c(F)cc(F)cc12
InChIInChI=1S/C15H16F2N2O2/c1-3-5-18-13-10-6-9(16)7-12(17)14(10)19-8-11(13)15(20)21-4-2/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyMSXIBOVENYFGFS-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.51
Rot. Bonds5

About ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate

ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate (PubChem CID 63486440) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
PubChem CID63486440
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Nameethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
SMILESCCCNc1c(C(=O)OCC)cnc2c(F)cc(F)cc12
InChIInChI=1S/C15H16F2N2O2/c1-3-5-18-13-10-6-9(16)7-12(17)14(10)19-8-11(13)15(20)21-4-2/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyMSXIBOVENYFGFS-UHFFFAOYSA-N
XLogP3.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
CID 81256553
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-difluoro-4-(3-methylanilino)quinoline-3-carboxylate
CID 23239653
ethyl 4-(ethylamino)-5,6,8-trifluoroquinoline-3-carboxylate
CID 62809371
ethyl 5,6,8-trifluoro-4-(methylamino)quinoline-3-carboxylate
CID 62809200
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 4-(2,2-difluoroethylamino)-6-fluoroquinoline-3-carboxylate
CID 133368454
ethyl 7-fluoro-4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 114261072
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
CID 3354209
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate (CID 63486440) is ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate is CCCNc1c(C(=O)OCC)cnc2c(F)cc(F)cc12.
What is the InChIKey of ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate?
The InChIKey is MSXIBOVENYFGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-3-5-18-13-10-6-9(16)7-12(17)14(10)19-8-11(13)15(20)21-4-2/h6-8H,3-5H2,1-2H3,(H,18,19).
What are the key properties of ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate?
ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate has a molecular weight of 294.30 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate is sourced from PubChem (CID 63486440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).