4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide

C20H16FN3O3 — CID 71565668

IUPAC4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC3=O)cc2n1
InChIInChI=1S/C20H16FN3O3/c21-14-4-2-13(3-5-14)16-10-18(19(22)25)23-17-9-12(1-6-15(16)17)11-24-7-8-27-20(24)26/h1-6,9-10H,7-8,11H2,(H2,22,25)
InChIKeyDXXJDGIZZRMJON-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.09
Rot. Bonds4

About 4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide

4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide (PubChem CID 71565668) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide
PubChem CID71565668
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC3=O)cc2n1
InChIInChI=1S/C20H16FN3O3/c21-14-4-2-13(3-5-14)16-10-18(19(22)25)23-17-9-12(1-6-15(16)17)11-24-7-8-27-20(24)26/h1-6,9-10H,7-8,11H2,(H2,22,25)
InChIKeyDXXJDGIZZRMJON-UHFFFAOYSA-N
XLogP3.09
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide (CID 71565668) is 4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC3=O)cc2n1.
What is the InChIKey of 4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide?
The InChIKey is DXXJDGIZZRMJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c21-14-4-2-13(3-5-14)16-10-18(19(22)25)23-17-9-12(1-6-15(16)17)11-24-7-8-27-20(24)26/h1-6,9-10H,7-8,11H2,(H2,22,25).
What are the key properties of 4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide?
4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 71565668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).