7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide

C21H17FN4O2 — CID 70681167

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide
SMILESCc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(C(N)=O)cnc2c1
InChIInChI=1S/C21H17FN4O2/c1-11-19(12(2)28-26-11)13-7-8-14-18(9-13)24-10-15(21(23)27)20(14)25-17-6-4-3-5-16(17)22/h3-10H,1-2H3,(H2,23,27)(H,24,25)
InChIKeyKFUKDXYDCKKZNK-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.49
Rot. Bonds4

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide

7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide (PubChem CID 70681167) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide
PubChem CID70681167
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide
SMILESCc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(C(N)=O)cnc2c1
InChIInChI=1S/C21H17FN4O2/c1-11-19(12(2)28-26-11)13-7-8-14-18(9-13)24-10-15(21(23)27)20(14)25-17-6-4-3-5-16(17)22/h3-10H,1-2H3,(H2,23,27)(H,24,25)
InChIKeyKFUKDXYDCKKZNK-UHFFFAOYSA-N
XLogP4.49
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide (CID 70681167) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide is Cc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(C(N)=O)cnc2c1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide?
The InChIKey is KFUKDXYDCKKZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-11-19(12(2)28-26-11)13-7-8-14-18(9-13)24-10-15(21(23)27)20(14)25-17-6-4-3-5-16(17)22/h3-10H,1-2H3,(H2,23,27)(H,24,25).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide is sourced from PubChem (CID 70681167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).