4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

C21H15BrFN5O2 — CID 59254857

IUPAC4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Br)c(F)c4)ncc3c2)ccn1
InChIInChI=1S/C21H15BrFN5O2/c1-24-20(29)19-10-15(6-7-25-19)30-14-3-5-18-12(8-14)11-26-21(28-18)27-13-2-4-16(22)17(23)9-13/h2-11H,1H3,(H,24,29)(H,26,27,28)
InChIKeyQLIPTOYAOXPIPT-UHFFFAOYSA-N
MW468.29 g/mol
LogP4.82
Rot. Bonds5

About 4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 59254857) has the molecular formula C21H15BrFN5O2 and a molecular weight of 468.29 g/mol. Its IUPAC name is 4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID59254857
Molecular FormulaC21H15BrFN5O2
Molecular Weight468.29 g/mol
Exact Mass467.04
IUPAC Name4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Br)c(F)c4)ncc3c2)ccn1
InChIInChI=1S/C21H15BrFN5O2/c1-24-20(29)19-10-15(6-7-25-19)30-14-3-5-18-12(8-14)11-26-21(28-18)27-13-2-4-16(22)17(23)9-13/h2-11H,1H3,(H,24,29)(H,26,27,28)
InChIKeyQLIPTOYAOXPIPT-UHFFFAOYSA-N
XLogP4.82
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.29
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
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
ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 143038075
4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 155810675
N-methyl-4-[2-(pyridin-2-ylamino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 44603104
4-[2-(cyclopentylamino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 42642424
N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 59254883
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-[2-(2-bicyclo[2.2.1]heptanylamino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254869
4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 130247726
4-[[3-[4-(iodomethyl)anilino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89406248

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (CID 59254857) is 4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Br)c(F)c4)ncc3c2)ccn1.
What is the InChIKey of 4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is QLIPTOYAOXPIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrFN5O2/c1-24-20(29)19-10-15(6-7-25-19)30-14-3-5-18-12(8-14)11-26-21(28-18)27-13-2-4-16(22)17(23)9-13/h2-11H,1H3,(H,24,29)(H,26,27,28).
What are the key properties of 4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 468.29 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 59254857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).