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

C21H16FN3O3 — CID 71450297

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid
SMILESCc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(C(=O)O)cnc2c1
InChIInChI=1S/C21H16FN3O3/c1-11-19(12(2)28-25-11)13-7-8-14-18(9-13)23-10-15(21(26)27)20(14)24-17-6-4-3-5-16(17)22/h3-10H,1-2H3,(H,23,24)(H,26,27)
InChIKeyBQHNXKHTIUBEHE-UHFFFAOYSA-N
MW377.38 g/mol
LogP5.09
Rot. Bonds4

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid (PubChem CID 71450297) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid
PubChem CID71450297
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid
SMILESCc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(C(=O)O)cnc2c1
InChIInChI=1S/C21H16FN3O3/c1-11-19(12(2)28-25-11)13-7-8-14-18(9-13)23-10-15(21(26)27)20(14)24-17-6-4-3-5-16(17)22/h3-10H,1-2H3,(H,23,24)(H,26,27)
InChIKeyBQHNXKHTIUBEHE-UHFFFAOYSA-N
XLogP5.09
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.38
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxamide
CID 70681167
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methylanilino)quinoline-3-carboxamide
CID 70693763
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)anilino]quinoline-3-carboxamide;hydrochloride
CID 44529503
2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid
CID 138393314
4-[1-(2-fluorophenyl)-2-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70664142
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
potassium 2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate
CID 153457714
2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 15354514
4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole
CID 70664302
7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(2-fluorophenyl)-(oxan-4-yl)methyl]pyrido[3,2-b]indole-3-carboxylic acid
CID 122688418
4-(2-fluoroanilino)quinoline-3-carbothioamide
CID 43669596
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid (CID 71450297) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid is Cc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(C(=O)O)cnc2c1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid?
The InChIKey is BQHNXKHTIUBEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-11-19(12(2)28-25-11)13-7-8-14-18(9-13)23-10-15(21(26)27)20(14)24-17-6-4-3-5-16(17)22/h3-10H,1-2H3,(H,23,24)(H,26,27).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)quinoline-3-carboxylic acid has a molecular weight of 377.38 g/mol, XLogP of 5.09, 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-carboxylic acid is sourced from PubChem (CID 71450297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).