7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide

C19H19FN4O3 — CID 70739050

IUPAC7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCc2noc(C3CCCO3)n2)c2ccc(F)cc2n1
InChIInChI=1S/C19H19FN4O3/c1-11-9-14(13-5-4-12(20)10-15(13)22-11)18(25)21-7-6-17-23-19(27-24-17)16-3-2-8-26-16/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,21,25)
InChIKeyKGHHDZWVCBDMRI-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.89
Rot. Bonds5

About 7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide

7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide (PubChem CID 70739050) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide
PubChem CID70739050
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCc2noc(C3CCCO3)n2)c2ccc(F)cc2n1
InChIInChI=1S/C19H19FN4O3/c1-11-9-14(13-5-4-12(20)10-15(13)22-11)18(25)21-7-6-17-23-19(27-24-17)16-3-2-8-26-16/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,21,25)
InChIKeyKGHHDZWVCBDMRI-UHFFFAOYSA-N
XLogP2.89
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide (CID 70739050) is 7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCCc2noc(C3CCCO3)n2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide?
The InChIKey is KGHHDZWVCBDMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-11-9-14(13-5-4-12(20)10-15(13)22-11)18(25)21-7-6-17-23-19(27-24-17)16-3-2-8-26-16/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,21,25).
What are the key properties of 7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide?
7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 70739050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).