methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate

C19H15FN2O3 — CID 71979122

IUPACmethyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate
SMILESCOC(=O)CN(C(=O)c1ccnc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C19H15FN2O3/c1-25-18(23)12-22(14-6-4-5-13(20)11-14)19(24)16-9-10-21-17-8-3-2-7-15(16)17/h2-11H,12H2,1H3
InChIKeyTXYPXOZECCMWGD-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate

methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate (PubChem CID 71979122) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate
PubChem CID71979122
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Namemethyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate
SMILESCOC(=O)CN(C(=O)c1ccnc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C19H15FN2O3/c1-25-18(23)12-22(14-6-4-5-13(20)11-14)19(24)16-9-10-21-17-8-3-2-7-15(16)17/h2-11H,12H2,1H3
InChIKeyTXYPXOZECCMWGD-UHFFFAOYSA-N
XLogP3.19
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate?
The IUPAC name of methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate (CID 71979122) is methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate.
What is the SMILES notation for methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate?
The canonical SMILES for methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate is COC(=O)CN(C(=O)c1ccnc2ccccc12)c1cccc(F)c1.
What is the InChIKey of methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate?
The InChIKey is TXYPXOZECCMWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-25-18(23)12-22(14-6-4-5-13(20)11-14)19(24)16-9-10-21-17-8-3-2-7-15(16)17/h2-11H,12H2,1H3.
What are the key properties of methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate?
methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate has a molecular weight of 338.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-fluoro-N-(quinoline-4-carbonyl)anilino]acetate is sourced from PubChem (CID 71979122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).