methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate

C18H13FN2O3 — CID 135057717

IUPACmethyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc3cccnc23)c(F)c1
InChIInChI=1S/C18H13FN2O3/c1-24-18(23)12-7-8-13(14(19)10-12)17(22)21-15-6-2-4-11-5-3-9-20-16(11)15/h2-10H,1H3,(H,21,22)
InChIKeyUNRFPBXWPWYWJY-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.41
Rot. Bonds3

About methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate

methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate (PubChem CID 135057717) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate
PubChem CID135057717
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Namemethyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc3cccnc23)c(F)c1
InChIInChI=1S/C18H13FN2O3/c1-24-18(23)12-7-8-13(14(19)10-12)17(22)21-15-6-2-4-11-5-3-9-20-16(11)15/h2-10H,1H3,(H,21,22)
InChIKeyUNRFPBXWPWYWJY-UHFFFAOYSA-N
XLogP3.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate?
The IUPAC name of methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate (CID 135057717) is methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate.
What is the SMILES notation for methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate?
The canonical SMILES for methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate is COC(=O)c1ccc(C(=O)Nc2cccc3cccnc23)c(F)c1.
What is the InChIKey of methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate?
The InChIKey is UNRFPBXWPWYWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c1-24-18(23)12-7-8-13(14(19)10-12)17(22)21-15-6-2-4-11-5-3-9-20-16(11)15/h2-10H,1H3,(H,21,22).
What are the key properties of methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate?
methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate has a molecular weight of 324.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-(quinolin-8-ylcarbamoyl)benzoate is sourced from PubChem (CID 135057717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).