2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline

C23H22FNO2 — CID 23085182

IUPAC2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline
SMILESCC1COC(c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)OC1
InChIInChI=1S/C23H22FNO2/c1-14-12-26-23(27-13-14)21-20(15-8-10-17(24)11-9-15)18-4-2-3-5-19(18)25-22(21)16-6-7-16/h2-5,8-11,14,16,23H,6-7,12-13H2,1H3
InChIKeyDEMMNPRLVJQMMF-UHFFFAOYSA-N
MW363.43 g/mol
LogP5.60
Rot. Bonds3

About 2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline

2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline (PubChem CID 23085182) has the molecular formula C23H22FNO2 and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline
PubChem CID23085182
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC Name2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline
SMILESCC1COC(c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)OC1
InChIInChI=1S/C23H22FNO2/c1-14-12-26-23(27-13-14)21-20(15-8-10-17(24)11-9-15)18-4-2-3-5-19(18)25-22(21)16-6-7-16/h2-5,8-11,14,16,23H,6-7,12-13H2,1H3
InChIKeyDEMMNPRLVJQMMF-UHFFFAOYSA-N
XLogP5.60
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline?
The IUPAC name of 2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline (CID 23085182) is 2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline.
What is the SMILES notation for 2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline?
The canonical SMILES for 2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline is CC1COC(c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)OC1.
What is the InChIKey of 2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline?
The InChIKey is DEMMNPRLVJQMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2/c1-14-12-26-23(27-13-14)21-20(15-8-10-17(24)11-9-15)18-4-2-3-5-19(18)25-22(21)16-6-7-16/h2-5,8-11,14,16,23H,6-7,12-13H2,1H3.
What are the key properties of 2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline?
2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline has a molecular weight of 363.43 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-fluorophenyl)-3-(5-methyl-1,3-dioxan-2-yl)quinoline is sourced from PubChem (CID 23085182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).