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

C22H20FNO2 — CID 10020722

IUPAC2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline
SMILESFc1ccc(-c2c(C3OCCCO3)c(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C22H20FNO2/c23-16-10-8-14(9-11-16)19-17-4-1-2-5-18(17)24-21(15-6-7-15)20(19)22-25-12-3-13-26-22/h1-2,4-5,8-11,15,22H,3,6-7,12-13H2
InChIKeyJBOVRQQTLGTNNS-UHFFFAOYSA-N
MW349.40 g/mol
LogP5.35
Rot. Bonds3

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

2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline (PubChem CID 10020722) has the molecular formula C22H20FNO2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline.

Molecular Properties

Compound Name2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline
PubChem CID10020722
Molecular FormulaC22H20FNO2
Molecular Weight349.40 g/mol
Exact Mass349.15
IUPAC Name2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline
SMILESFc1ccc(-c2c(C3OCCCO3)c(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C22H20FNO2/c23-16-10-8-14(9-11-16)19-17-4-1-2-5-18(17)24-21(15-6-7-15)20(19)22-25-12-3-13-26-22/h1-2,4-5,8-11,15,22H,3,6-7,12-13H2
InChIKeyJBOVRQQTLGTNNS-UHFFFAOYSA-N
XLogP5.35
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.40
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline?
The IUPAC name of 2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline (CID 10020722) is 2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline.
What is the SMILES notation for 2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline?
The canonical SMILES for 2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline is Fc1ccc(-c2c(C3OCCCO3)c(C3CC3)nc3ccccc23)cc1.
What is the InChIKey of 2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline?
The InChIKey is JBOVRQQTLGTNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c23-16-10-8-14(9-11-16)19-17-4-1-2-5-18(17)24-21(15-6-7-15)20(19)22-25-12-3-13-26-22/h1-2,4-5,8-11,15,22H,3,6-7,12-13H2.
What are the key properties of 2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline?
2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline has a molecular weight of 349.40 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)quinoline is sourced from PubChem (CID 10020722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).