7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide

C14H10FN3O3 — CID 74239727

IUPAC7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCc1ccon1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C14H10FN3O3/c15-8-1-2-10-11(6-13(19)17-12(10)5-8)14(20)16-7-9-3-4-21-18-9/h1-6H,7H2,(H,16,20)(H,17,19)
InChIKeyKVWBAPCXBVPXIW-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.59
Rot. Bonds3

About 7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide

7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 74239727) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID74239727
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCc1ccon1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C14H10FN3O3/c15-8-1-2-10-11(6-13(19)17-12(10)5-8)14(20)16-7-9-3-4-21-18-9/h1-6H,7H2,(H,16,20)(H,17,19)
InChIKeyKVWBAPCXBVPXIW-UHFFFAOYSA-N
XLogP1.59
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide (CID 74239727) is 7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide is O=C(NCc1ccon1)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is KVWBAPCXBVPXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c15-8-1-2-10-11(6-13(19)17-12(10)5-8)14(20)16-7-9-3-4-21-18-9/h1-6H,7H2,(H,16,20)(H,17,19).
What are the key properties of 7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide?
7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(1,2-oxazol-3-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 74239727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).