3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one

C21H23FN2O3 — CID 146182741

IUPAC3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one
SMILESCC(C(=O)N1CCOC1=O)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C21H23FN2O3/c1-13(20(25)24-10-11-27-21(24)26)14-2-4-15(5-3-14)17-8-9-23-19-7-6-16(22)12-18(17)19/h6-9,12-15H,2-5,10-11H2,1H3
InChIKeyZGBDTIHCQBSDEO-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.26
Rot. Bonds3

About 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one

3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 146182741) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID146182741
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one
SMILESCC(C(=O)N1CCOC1=O)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C21H23FN2O3/c1-13(20(25)24-10-11-27-21(24)26)14-2-4-15(5-3-14)17-8-9-23-19-7-6-16(22)12-18(17)19/h6-9,12-15H,2-5,10-11H2,1H3
InChIKeyZGBDTIHCQBSDEO-UHFFFAOYSA-N
XLogP4.26
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one (CID 146182741) is 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one is CC(C(=O)N1CCOC1=O)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is ZGBDTIHCQBSDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-13(20(25)24-10-11-27-21(24)26)14-2-4-15(5-3-14)17-8-9-23-19-7-6-16(22)12-18(17)19/h6-9,12-15H,2-5,10-11H2,1H3.
What are the key properties of 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one?
3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 370.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146182741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).