3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one

C13H12FNO2 — CID 169110538

IUPAC3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2c(F)c(CO)ccc2cc1C1CC1
InChIInChI=1S/C13H12FNO2/c14-11-9(6-16)4-3-8-5-10(7-1-2-7)13(17)15-12(8)11/h3-5,7,16H,1-2,6H2,(H,15,17)
InChIKeyDBFXUEJZTAPCPW-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.04
Rot. Bonds2

About 3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one

3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one (PubChem CID 169110538) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one
PubChem CID169110538
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2c(F)c(CO)ccc2cc1C1CC1
InChIInChI=1S/C13H12FNO2/c14-11-9(6-16)4-3-8-5-10(7-1-2-7)13(17)15-12(8)11/h3-5,7,16H,1-2,6H2,(H,15,17)
InChIKeyDBFXUEJZTAPCPW-UHFFFAOYSA-N
XLogP2.04
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one?
The IUPAC name of 3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one (CID 169110538) is 3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one is O=c1[nH]c2c(F)c(CO)ccc2cc1C1CC1.
What is the InChIKey of 3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one?
The InChIKey is DBFXUEJZTAPCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-11-9(6-16)4-3-8-5-10(7-1-2-7)13(17)15-12(8)11/h3-5,7,16H,1-2,6H2,(H,15,17).
What are the key properties of 3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one?
3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one has a molecular weight of 233.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one is sourced from PubChem (CID 169110538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).