2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline

C21H18FNO — CID 87120778

IUPAC2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline
SMILESFc1ccc(-c2c(CC3CO3)c(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C21H18FNO/c22-15-9-7-13(8-10-15)20-17-3-1-2-4-19(17)23-21(14-5-6-14)18(20)11-16-12-24-16/h1-4,7-10,14,16H,5-6,11-12H2
InChIKeyOUCUKYUBGSFHAF-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.86
Rot. Bonds4

About 2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline

2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline (PubChem CID 87120778) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline
PubChem CID87120778
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline
SMILESFc1ccc(-c2c(CC3CO3)c(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C21H18FNO/c22-15-9-7-13(8-10-15)20-17-3-1-2-4-19(17)23-21(14-5-6-14)18(20)11-16-12-24-16/h1-4,7-10,14,16H,5-6,11-12H2
InChIKeyOUCUKYUBGSFHAF-UHFFFAOYSA-N
XLogP4.86
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline?
The IUPAC name of 2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline (CID 87120778) is 2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline.
What is the SMILES notation for 2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline?
The canonical SMILES for 2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline is Fc1ccc(-c2c(CC3CO3)c(C3CC3)nc3ccccc23)cc1.
What is the InChIKey of 2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline?
The InChIKey is OUCUKYUBGSFHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c22-15-9-7-13(8-10-15)20-17-3-1-2-4-19(17)23-21(14-5-6-14)18(20)11-16-12-24-16/h1-4,7-10,14,16H,5-6,11-12H2.
What are the key properties of 2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline?
2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline has a molecular weight of 319.38 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline is sourced from PubChem (CID 87120778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).