4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline

C14H14FNO2 — CID 146169874

IUPAC4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline
SMILESCc1cc(C2COCCO2)c2cc(F)ccc2n1
InChIInChI=1S/C14H14FNO2/c1-9-6-12(14-8-17-4-5-18-14)11-7-10(15)2-3-13(11)16-9/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyHAZQORBGOYFUEM-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.77
Rot. Bonds1

About 4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline

4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline (PubChem CID 146169874) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline.

Molecular Properties

Compound Name4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline
PubChem CID146169874
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline
SMILESCc1cc(C2COCCO2)c2cc(F)ccc2n1
InChIInChI=1S/C14H14FNO2/c1-9-6-12(14-8-17-4-5-18-14)11-7-10(15)2-3-13(11)16-9/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyHAZQORBGOYFUEM-UHFFFAOYSA-N
XLogP2.77
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline?
The IUPAC name of 4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline (CID 146169874) is 4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline.
What is the SMILES notation for 4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline?
The canonical SMILES for 4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline is Cc1cc(C2COCCO2)c2cc(F)ccc2n1.
What is the InChIKey of 4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline?
The InChIKey is HAZQORBGOYFUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9-6-12(14-8-17-4-5-18-14)11-7-10(15)2-3-13(11)16-9/h2-3,6-7,14H,4-5,8H2,1H3.
What are the key properties of 4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline?
4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline has a molecular weight of 247.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-yl)-6-fluoro-2-methylquinoline is sourced from PubChem (CID 146169874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).