6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one

C17H14FNO3 — CID 122523129

IUPAC6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(CO)c2cc(F)c(-c3ccc(O)cc3)cc21
InChIInChI=1S/C17H14FNO3/c1-19-16-8-13(10-2-4-12(21)5-3-10)15(18)7-14(16)11(9-20)6-17(19)22/h2-8,20-21H,9H2,1H3
InChIKeyIHDIVOXRCVZXBO-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.54
Rot. Bonds2

About 6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one

6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one (PubChem CID 122523129) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one
PubChem CID122523129
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(CO)c2cc(F)c(-c3ccc(O)cc3)cc21
InChIInChI=1S/C17H14FNO3/c1-19-16-8-13(10-2-4-12(21)5-3-10)15(18)7-14(16)11(9-20)6-17(19)22/h2-8,20-21H,9H2,1H3
InChIKeyIHDIVOXRCVZXBO-UHFFFAOYSA-N
XLogP2.54
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one?
The IUPAC name of 6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one (CID 122523129) is 6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one.
What is the SMILES notation for 6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one?
The canonical SMILES for 6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one is Cn1c(=O)cc(CO)c2cc(F)c(-c3ccc(O)cc3)cc21.
What is the InChIKey of 6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one?
The InChIKey is IHDIVOXRCVZXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-19-16-8-13(10-2-4-12(21)5-3-10)15(18)7-14(16)11(9-20)6-17(19)22/h2-8,20-21H,9H2,1H3.
What are the key properties of 6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one?
6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one has a molecular weight of 299.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 122523129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).