1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one

C14H14FNO3 — CID 59397940

IUPAC1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CC2OCCO2)c2cc(F)ccc12
InChIInChI=1S/C14H14FNO3/c1-9-6-13(17)16(8-14-18-4-5-19-14)12-7-10(15)2-3-11(9)12/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyJUINIEJFHLHLLG-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.82
Rot. Bonds2

About 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one

1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one (PubChem CID 59397940) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one
PubChem CID59397940
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CC2OCCO2)c2cc(F)ccc12
InChIInChI=1S/C14H14FNO3/c1-9-6-13(17)16(8-14-18-4-5-19-14)12-7-10(15)2-3-11(9)12/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyJUINIEJFHLHLLG-UHFFFAOYSA-N
XLogP1.82
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one (CID 59397940) is 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one is Cc1cc(=O)n(CC2OCCO2)c2cc(F)ccc12.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one?
The InChIKey is JUINIEJFHLHLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-9-6-13(17)16(8-14-18-4-5-19-14)12-7-10(15)2-3-11(9)12/h2-3,6-7,14H,4-5,8H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one?
1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one has a molecular weight of 263.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methylquinolin-2-one is sourced from PubChem (CID 59397940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).