4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide

C16H11FN2O2 — CID 136504545

IUPAC4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(O)cc2F)c2ccccc2n1
InChIInChI=1S/C16H11FN2O2/c17-13-7-9(20)5-6-10(13)12-8-15(16(18)21)19-14-4-2-1-3-11(12)14/h1-8,20H,(H2,18,21)
InChIKeyODVLPOULSWSDBL-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.85
Rot. Bonds2

About 4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide

4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide (PubChem CID 136504545) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide
PubChem CID136504545
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(O)cc2F)c2ccccc2n1
InChIInChI=1S/C16H11FN2O2/c17-13-7-9(20)5-6-10(13)12-8-15(16(18)21)19-14-4-2-1-3-11(12)14/h1-8,20H,(H2,18,21)
InChIKeyODVLPOULSWSDBL-UHFFFAOYSA-N
XLogP2.85
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide?
The IUPAC name of 4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide (CID 136504545) is 4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(O)cc2F)c2ccccc2n1.
What is the InChIKey of 4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide?
The InChIKey is ODVLPOULSWSDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-13-7-9(20)5-6-10(13)12-8-15(16(18)21)19-14-4-2-1-3-11(12)14/h1-8,20H,(H2,18,21).
What are the key properties of 4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide?
4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide has a molecular weight of 282.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-hydroxyphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 136504545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).