N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide

C22H16F3N5O3 — CID 44602984

IUPACN-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(OC(F)(F)F)cc4)ncc3c2)ccn1
InChIInChI=1S/C22H16F3N5O3/c1-26-20(31)19-11-17(8-9-27-19)32-16-6-7-18-13(10-16)12-28-21(30-18)29-14-2-4-15(5-3-14)33-22(23,24)25/h2-12H,1H3,(H,26,31)(H,28,29,30)
InChIKeyQYLKLGMZRAJRJK-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.82
Rot. Bonds6

About N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide

N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide (PubChem CID 44602984) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide
PubChem CID44602984
Molecular FormulaC22H16F3N5O3
Molecular Weight455.40 g/mol
Exact Mass455.12
IUPAC NameN-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(OC(F)(F)F)cc4)ncc3c2)ccn1
InChIInChI=1S/C22H16F3N5O3/c1-26-20(31)19-11-17(8-9-27-19)32-16-6-7-18-13(10-16)12-28-21(30-18)29-14-2-4-15(5-3-14)33-22(23,24)25/h2-12H,1H3,(H,26,31)(H,28,29,30)
InChIKeyQYLKLGMZRAJRJK-UHFFFAOYSA-N
XLogP4.82
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide (CID 44602984) is N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(OC(F)(F)F)cc4)ncc3c2)ccn1.
What is the InChIKey of N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide?
The InChIKey is QYLKLGMZRAJRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c1-26-20(31)19-11-17(8-9-27-19)32-16-6-7-18-13(10-16)12-28-21(30-18)29-14-2-4-15(5-3-14)33-22(23,24)25/h2-12H,1H3,(H,26,31)(H,28,29,30).
What are the key properties of N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide?
N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide has a molecular weight of 455.40 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[4-(trifluoromethoxy)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 44602984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).