[2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone

C19H13F2NO3 — CID 166790938

IUPAC[2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone
SMILESO=C(c1cnc2c(F)cccc2c1)c1cccc(F)c1C1OCCO1
InChIInChI=1S/C19H13F2NO3/c20-14-5-2-4-13(16(14)19-24-7-8-25-19)18(23)12-9-11-3-1-6-15(21)17(11)22-10-12/h1-6,9-10,19H,7-8H2
InChIKeyMVMITMFVFYDQOS-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.79
Rot. Bonds3

About [2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone

[2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone (PubChem CID 166790938) has the molecular formula C19H13F2NO3 and a molecular weight of 341.31 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone
PubChem CID166790938
Molecular FormulaC19H13F2NO3
Molecular Weight341.31 g/mol
Exact Mass341.09
IUPAC Name[2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone
SMILESO=C(c1cnc2c(F)cccc2c1)c1cccc(F)c1C1OCCO1
InChIInChI=1S/C19H13F2NO3/c20-14-5-2-4-13(16(14)19-24-7-8-25-19)18(23)12-9-11-3-1-6-15(21)17(11)22-10-12/h1-6,9-10,19H,7-8H2
InChIKeyMVMITMFVFYDQOS-UHFFFAOYSA-N
XLogP3.79
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone?
The IUPAC name of [2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone (CID 166790938) is [2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone is O=C(c1cnc2c(F)cccc2c1)c1cccc(F)c1C1OCCO1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone?
The InChIKey is MVMITMFVFYDQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO3/c20-14-5-2-4-13(16(14)19-24-7-8-25-19)18(23)12-9-11-3-1-6-15(21)17(11)22-10-12/h1-6,9-10,19H,7-8H2.
What are the key properties of [2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone?
[2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone has a molecular weight of 341.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)-3-fluorophenyl]-(8-fluoroquinolin-3-yl)methanone is sourced from PubChem (CID 166790938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).