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'}

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Related Compounds

2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-amine
CID 163732207
[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium
CID 87095849
2-cyclopropyl-3-(diethoxyphosphorylmethyl)-4-(4-fluorophenyl)quinoline
CID 46897065
bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane
CID 142709376
(E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-en-1-ol
CID 15480490
1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol
CID 66714892
2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline
CID 123797068
(4S,6R)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
CID 11003967
2-[(4R,6S)-6-[(Z)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 67778120
(E)-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-1-ene-3,5-diol
CID 22412416
2-cyclopropyl-3-[2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-4-(4-fluorophenyl)quinoline
CID 175698373
(Z,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 100942119

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).