4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide

C22H16F2N4O2 — CID 142739416

IUPAC4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc3nc(Nc4ccc(F)c(F)c4)ccc23)ccn1
InChIInChI=1S/C22H16F2N4O2/c1-25-22(29)19-12-14(9-10-26-19)30-20-4-2-3-18-15(20)6-8-21(28-18)27-13-5-7-16(23)17(24)11-13/h2-12H,1H3,(H,25,29)(H,27,28)
InChIKeyZWXSNNQSHWJDNU-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.80
Rot. Bonds5

About 4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 142739416) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is 4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID142739416
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc3nc(Nc4ccc(F)c(F)c4)ccc23)ccn1
InChIInChI=1S/C22H16F2N4O2/c1-25-22(29)19-12-14(9-10-26-19)30-20-4-2-3-18-15(20)6-8-21(28-18)27-13-5-7-16(23)17(24)11-13/h2-12H,1H3,(H,25,29)(H,27,28)
InChIKeyZWXSNNQSHWJDNU-UHFFFAOYSA-N
XLogP4.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 142739416) is 4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc3nc(Nc4ccc(F)c(F)c4)ccc23)ccn1.
What is the InChIKey of 4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is ZWXSNNQSHWJDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c1-25-22(29)19-12-14(9-10-26-19)30-20-4-2-3-18-15(20)6-8-21(28-18)27-13-5-7-16(23)17(24)11-13/h2-12H,1H3,(H,25,29)(H,27,28).
What are the key properties of 4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-difluoroanilino)quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 142739416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).