ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate

C19H15FN2O3 — CID 68694892

IUPACethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc3cccnc3c2)cc1F
InChIInChI=1S/C19H15FN2O3/c1-2-25-19(24)15-8-7-14(11-16(15)20)22-18(23)13-6-5-12-4-3-9-21-17(12)10-13/h3-11H,2H2,1H3,(H,22,23)
InChIKeyWPZFIWYIYCUCJM-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.80
Rot. Bonds4

About ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate

ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate (PubChem CID 68694892) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate
PubChem CID68694892
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Nameethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc3cccnc3c2)cc1F
InChIInChI=1S/C19H15FN2O3/c1-2-25-19(24)15-8-7-14(11-16(15)20)22-18(23)13-6-5-12-4-3-9-21-17(12)10-13/h3-11H,2H2,1H3,(H,22,23)
InChIKeyWPZFIWYIYCUCJM-UHFFFAOYSA-N
XLogP3.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(methylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 142343698
N-(3,4-dichlorophenyl)quinoline-7-carboxamide
CID 142343714
N-(4-ethoxy-3-methylphenyl)quinoline-6-carboxamide
CID 86874562
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
ethyl 2-[[4-[(3,4-difluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109179002
N-(4-chloro-2-methylphenyl)quinoline-7-carboxamide
CID 142343740
3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
CID 78878548
N-[3-chloro-4-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 162607907
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
CID 115661425
N-(2-aminoethyl)quinoline-7-carboxamide
CID 142187430
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate?
The IUPAC name of ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate (CID 68694892) is ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate.
What is the SMILES notation for ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate?
The canonical SMILES for ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc3cccnc3c2)cc1F.
What is the InChIKey of ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate?
The InChIKey is WPZFIWYIYCUCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-2-25-19(24)15-8-7-14(11-16(15)20)22-18(23)13-6-5-12-4-3-9-21-17(12)10-13/h3-11H,2H2,1H3,(H,22,23).
What are the key properties of ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate?
ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate has a molecular weight of 338.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate is sourced from PubChem (CID 68694892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).