7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide

C16H14FN3O2 — CID 70745469

IUPAC7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccno2)c2ccc(F)cc2n1
InChIInChI=1S/C16H14FN3O2/c1-10-7-14(13-4-3-11(17)8-15(13)19-10)16(21)20(2)9-12-5-6-18-22-12/h3-8H,9H2,1-2H3
InChIKeyIEHSBYOHPNVJSB-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.94
Rot. Bonds3

About 7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide

7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide (PubChem CID 70745469) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide
PubChem CID70745469
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccno2)c2ccc(F)cc2n1
InChIInChI=1S/C16H14FN3O2/c1-10-7-14(13-4-3-11(17)8-15(13)19-10)16(21)20(2)9-12-5-6-18-22-12/h3-8H,9H2,1-2H3
InChIKeyIEHSBYOHPNVJSB-UHFFFAOYSA-N
XLogP2.94
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide (CID 70745469) is 7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccno2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide?
The InChIKey is IEHSBYOHPNVJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-10-7-14(13-4-3-11(17)8-15(13)19-10)16(21)20(2)9-12-5-6-18-22-12/h3-8H,9H2,1-2H3.
What are the key properties of 7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide?
7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 70745469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).