1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol

C24H24FNO3 — CID 66714892

IUPAC1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESOC(CCC1OCCO1)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C24H24FNO3/c25-17-9-7-15(8-10-17)22-18-3-1-2-4-19(18)26-24(16-5-6-16)23(22)20(27)11-12-21-28-13-14-29-21/h1-4,7-10,16,20-21,27H,5-6,11-14H2
InChIKeyUFJBRIIAGBFVJH-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.10
Rot. Bonds6

About 1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol

1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol (PubChem CID 66714892) has the molecular formula C24H24FNO3 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol
PubChem CID66714892
Molecular FormulaC24H24FNO3
Molecular Weight393.46 g/mol
Exact Mass393.17
IUPAC Name1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESOC(CCC1OCCO1)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C24H24FNO3/c25-17-9-7-15(8-10-17)22-18-3-1-2-4-19(18)26-24(16-5-6-16)23(22)20(27)11-12-21-28-13-14-29-21/h1-4,7-10,16,20-21,27H,5-6,11-14H2
InChIKeyUFJBRIIAGBFVJH-UHFFFAOYSA-N
XLogP5.10
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol?
The IUPAC name of 1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol (CID 66714892) is 1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol is OC(CCC1OCCO1)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.
What is the InChIKey of 1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol?
The InChIKey is UFJBRIIAGBFVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3/c25-17-9-7-15(8-10-17)22-18-3-1-2-4-19(18)26-24(16-5-6-16)23(22)20(27)11-12-21-28-13-14-29-21/h1-4,7-10,16,20-21,27H,5-6,11-14H2.
What are the key properties of 1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol?
1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol has a molecular weight of 393.46 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol is sourced from PubChem (CID 66714892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).