4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline

C14H14FNO2 — CID 146170128

IUPAC4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline
SMILESCc1cc(C2COCCO2)c2ccc(F)cc2n1
InChIInChI=1S/C14H14FNO2/c1-9-6-12(14-8-17-4-5-18-14)11-3-2-10(15)7-13(11)16-9/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyDCEYMMYJAROAMZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.77
Rot. Bonds1

About 4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline

4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline (PubChem CID 146170128) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline.

Molecular Properties

Compound Name4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline
PubChem CID146170128
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline
SMILESCc1cc(C2COCCO2)c2ccc(F)cc2n1
InChIInChI=1S/C14H14FNO2/c1-9-6-12(14-8-17-4-5-18-14)11-3-2-10(15)7-13(11)16-9/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyDCEYMMYJAROAMZ-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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Related Compounds

3-[(Benzyloxy)methyl]-5-fluoro-2-methylquinolin-4-amine
CID 11098484
Quinoline, 4-methyl-2-(vinyloxy)-
CID 214959
4,6-Dimethyl-1,3-dihydrofuro[3,4-c]quinoline
CID 2816002
1-Propoxy-1,2,3,4-tetrahydro-acridin-9-ylamine
CID 44327020
(2-Methylquinolin-4-yl)methanol
CID 10149033
2-[2,8-Bis(trifluoromethyl)-4-quinolyl]oxirane
CID 12254566
4,8-Dimethyl-1,3-dihydrofuro[3,4-c]quinoline
CID 1234208
1-Methyl-4-(3-phenyloxiran-2-yl)quinolin-1-ium
CID 45489160
1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline
CID 46865890
2-(3-Methyloxiran-2-yl)quinoline
CID 10330043
2,8-Bis(trifluoromethyl)-alpha-ethoxymethyl-4-quinolinemethanol
CID 18511418
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-butoxyethanol
CID 46232979

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline?
The IUPAC name of 4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline (CID 146170128) is 4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline.
What is the SMILES notation for 4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline?
The canonical SMILES for 4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline is Cc1cc(C2COCCO2)c2ccc(F)cc2n1.
What is the InChIKey of 4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline?
The InChIKey is DCEYMMYJAROAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9-6-12(14-8-17-4-5-18-14)11-3-2-10(15)7-13(11)16-9/h2-3,6-7,14H,4-5,8H2,1H3.
What are the key properties of 4-(1,4-dioxan-2-yl)-7-fluoro-2-methylquinoline?
4-(1,4-dioxan-2-yl)-7-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)-7-fluoro-2-methylquinoline is sourced from PubChem (CID 146170128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).