3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione

C21H16FN3O3 — CID 129166480

IUPAC3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESC/N=C/c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)COC3=O)cc2n1
InChIInChI=1S/C21H16FN3O3/c1-23-10-16-9-18(14-3-5-15(22)6-4-14)17-7-2-13(8-19(17)24-16)11-25-20(26)12-28-21(25)27/h2-10H,11-12H2,1H3/b23-10+
InChIKeyCZPXFIVGRSSXJS-AUEPDCJTSA-N
MW377.38 g/mol
LogP3.57
Rot. Bonds4

About 3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 129166480) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID129166480
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESC/N=C/c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)COC3=O)cc2n1
InChIInChI=1S/C21H16FN3O3/c1-23-10-16-9-18(14-3-5-15(22)6-4-14)17-7-2-13(8-19(17)24-16)11-25-20(26)12-28-21(25)27/h2-10H,11-12H2,1H3/b23-10+
InChIKeyCZPXFIVGRSSXJS-AUEPDCJTSA-N
XLogP3.57
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 129166480) is 3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione is C/N=C/c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)COC3=O)cc2n1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is CZPXFIVGRSSXJS-AUEPDCJTSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-23-10-16-9-18(14-3-5-15(22)6-4-14)17-7-2-13(8-19(17)24-16)11-25-20(26)12-28-21(25)27/h2-10H,11-12H2,1H3/b23-10+.
What are the key properties of 3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 377.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)-2-(methyliminomethyl)quinolin-7-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 129166480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).