(4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone

C17H12FNO2 — CID 134158357

IUPAC(4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone
SMILESCc1ccc2nc(C(=O)c3ccc(F)c(O)c3)ccc2c1
InChIInChI=1S/C17H12FNO2/c1-10-2-6-14-11(8-10)4-7-15(19-14)17(21)12-3-5-13(18)16(20)9-12/h2-9,20H,1H3
InChIKeyDIBIPWTWYDLKIZ-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.62
Rot. Bonds2

About (4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone

(4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone (PubChem CID 134158357) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone
PubChem CID134158357
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name(4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone
SMILESCc1ccc2nc(C(=O)c3ccc(F)c(O)c3)ccc2c1
InChIInChI=1S/C17H12FNO2/c1-10-2-6-14-11(8-10)4-7-15(19-14)17(21)12-3-5-13(18)16(20)9-12/h2-9,20H,1H3
InChIKeyDIBIPWTWYDLKIZ-UHFFFAOYSA-N
XLogP3.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone (CID 134158357) is (4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone is Cc1ccc2nc(C(=O)c3ccc(F)c(O)c3)ccc2c1.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone?
The InChIKey is DIBIPWTWYDLKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-10-2-6-14-11(8-10)4-7-15(19-14)17(21)12-3-5-13(18)16(20)9-12/h2-9,20H,1H3.
What are the key properties of (4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone?
(4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone has a molecular weight of 281.29 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)-(6-methylquinolin-2-yl)methanone is sourced from PubChem (CID 134158357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).