4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide

C22H15F4N5O2 — CID 91027068

IUPAC4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc3nc(Nc4ccc(F)c(C(F)(F)F)c4)ncc3c2)ccn1
InChIInChI=1S/C22H15F4N5O2/c23-17-3-1-14(9-16(17)22(24,25)26)30-21-29-10-13-8-15(2-4-18(13)31-21)33-11-12-5-6-28-19(7-12)20(27)32/h1-10H,11H2,(H2,27,32)(H,29,30,31)
InChIKeyAIVPOPRZVVIGDZ-UHFFFAOYSA-N
MW457.39 g/mol
LogP4.60
Rot. Bonds6

About 4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide

4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide (PubChem CID 91027068) has the molecular formula C22H15F4N5O2 and a molecular weight of 457.39 g/mol. Its IUPAC name is 4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
PubChem CID91027068
Molecular FormulaC22H15F4N5O2
Molecular Weight457.39 g/mol
Exact Mass457.12
IUPAC Name4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc3nc(Nc4ccc(F)c(C(F)(F)F)c4)ncc3c2)ccn1
InChIInChI=1S/C22H15F4N5O2/c23-17-3-1-14(9-16(17)22(24,25)26)30-21-29-10-13-8-15(2-4-18(13)31-21)33-11-12-5-6-28-19(7-12)20(27)32/h1-10H,11H2,(H2,27,32)(H,29,30,31)
InChIKeyAIVPOPRZVVIGDZ-UHFFFAOYSA-N
XLogP4.60
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 91241125
4-[[2-(4-bromo-3-fluoroanilino)-1,3-benzoxazol-5-yl]oxymethyl]pyridine-2-carboxamide
CID 91251699
4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 90947284
4-[[4-[[4-chloro-3-(trifluoromethyl)phenoxy]carbamoylamino]-2-fluorophenoxy]methyl]pyridine-2-carboxamide
CID 90815080
4-[[3-[3-[4-(3-hydroxyprop-1-ynyl)-3-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]pyridine-2-carboxamide
CID 91294687
4-[[3-[3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]methyl]pyridine-2-carboxamide
CID 91430859
4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254857
4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]quinolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 68536358
4-[[3-[3-[4-[3-(dimethylamino)prop-1-ynyl]-3-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]pyridine-2-carboxamide
CID 91253174
ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 143038075
4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
CID 91288953
4-[[4-[(4,6-difluoro-1,3-benzothiazol-2-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
CID 91236442

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide (CID 91027068) is 4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide is NC(=O)c1cc(COc2ccc3nc(Nc4ccc(F)c(C(F)(F)F)c4)ncc3c2)ccn1.
What is the InChIKey of 4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The InChIKey is AIVPOPRZVVIGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N5O2/c23-17-3-1-14(9-16(17)22(24,25)26)30-21-29-10-13-8-15(2-4-18(13)31-21)33-11-12-5-6-28-19(7-12)20(27)32/h1-10H,11H2,(H2,27,32)(H,29,30,31).
What are the key properties of 4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide has a molecular weight of 457.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-fluoro-3-(trifluoromethyl)anilino]quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 91027068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).