ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate

C18H15FN2O2 — CID 39850527

IUPACethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C18H15FN2O2/c1-2-23-18(22)12-3-6-14(7-4-12)21-17-9-10-20-16-8-5-13(19)11-15(16)17/h3-11H,2H2,1H3,(H,20,21)
InChIKeyIDNRGDVXNJFUJR-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.29
Rot. Bonds4

About ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate

ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate (PubChem CID 39850527) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
PubChem CID39850527
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Nameethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C18H15FN2O2/c1-2-23-18(22)12-3-6-14(7-4-12)21-17-9-10-20-16-8-5-13(19)11-15(16)17/h3-11H,2H2,1H3,(H,20,21)
InChIKeyIDNRGDVXNJFUJR-UHFFFAOYSA-N
XLogP4.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958
ethyl 4-(2,5-difluoroanilino)benzoate
CID 82535791
ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate
CID 58170411
6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
CID 50877941
ethanol;ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate;4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylic acid
CID 162050100
ethyl 4-[[2-(2,4-difluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 112906518
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
CID 50877965
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate
CID 66487273
N-(2-ethylphenyl)-6-fluoroquinolin-4-amine
CID 39850754
4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide
CID 170228485
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate (CID 39850527) is ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1.
What is the InChIKey of ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate?
The InChIKey is IDNRGDVXNJFUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-2-23-18(22)12-3-6-14(7-4-12)21-17-9-10-20-16-8-5-13(19)11-15(16)17/h3-11H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate?
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate has a molecular weight of 310.33 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate is sourced from PubChem (CID 39850527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).