7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide

C22H19FN4O3 — CID 70681170

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide
SMILESCOc1cc2c(Nc3ccccc3F)c(C(N)=O)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26)
InChIKeyULNHSRPVGJEURD-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.50
Rot. Bonds5

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide

7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide (PubChem CID 70681170) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide
PubChem CID70681170
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide
SMILESCOc1cc2c(Nc3ccccc3F)c(C(N)=O)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26)
InChIKeyULNHSRPVGJEURD-UHFFFAOYSA-N
XLogP4.50
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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)-6-methoxyquinoline-3-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide (CID 70681170) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide is COc1cc2c(Nc3ccccc3F)c(C(N)=O)cnc2cc1-c1c(C)noc1C.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide?
The InChIKey is ULNHSRPVGJEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 70681170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).