4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide

C22H16F2N4O2 — CID 155810675

IUPAC4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(F)c(F)c4)ccc3c2)ccn1
InChIInChI=1S/C22H16F2N4O2/c1-25-22(29)20-12-16(8-9-26-20)30-15-4-6-19-13(10-15)2-7-21(28-19)27-14-3-5-17(23)18(24)11-14/h2-12H,1H3,(H,25,29)(H,27,28)
InChIKeyBCLMSBSAFSWMEJ-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.80
Rot. Bonds5

About 4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 155810675) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is 4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID155810675
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(F)c(F)c4)ccc3c2)ccn1
InChIInChI=1S/C22H16F2N4O2/c1-25-22(29)20-12-16(8-9-26-20)30-15-4-6-19-13(10-15)2-7-21(28-19)27-14-3-5-17(23)18(24)11-14/h2-12H,1H3,(H,25,29)(H,27,28)
InChIKeyBCLMSBSAFSWMEJ-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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Related Compounds

4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254857
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
4-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 42641176
4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254896
4-[2-(3-fluoro-2-methylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254892
N-methyl-4-[2-(pyridin-2-ylamino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 44603104
4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 130247726
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 143038075

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide (CID 155810675) is 4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(F)c(F)c4)ccc3c2)ccn1.
What is the InChIKey of 4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is BCLMSBSAFSWMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c1-25-22(29)20-12-16(8-9-26-20)30-15-4-6-19-13(10-15)2-7-21(28-19)27-14-3-5-17(23)18(24)11-14/h2-12H,1H3,(H,25,29)(H,27,28).
What are the key properties of 4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(3,4-difluoroanilino)quinolin-6-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-6-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 155810675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).