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

C22H16F3N5O2 — CID 44602985

IUPACN-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(F)(F)F)cc4)ncc3c2)ccn1
InChIInChI=1S/C22H16F3N5O2/c1-26-20(31)19-11-17(8-9-27-19)32-16-6-7-18-13(10-16)12-28-21(30-18)29-15-4-2-14(3-5-15)22(23,24)25/h2-12H,1H3,(H,26,31)(H,28,29,30)
InChIKeyTVMDXCWYKITPSK-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.94
Rot. Bonds5

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

N-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide (PubChem CID 44602985) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is N-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide
PubChem CID44602985
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC NameN-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(F)(F)F)cc4)ncc3c2)ccn1
InChIInChI=1S/C22H16F3N5O2/c1-26-20(31)19-11-17(8-9-27-19)32-16-6-7-18-13(10-16)12-28-21(30-18)29-15-4-2-14(3-5-15)22(23,24)25/h2-12H,1H3,(H,26,31)(H,28,29,30)
InChIKeyTVMDXCWYKITPSK-UHFFFAOYSA-N
XLogP4.94
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide (CID 44602985) is N-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(F)(F)F)cc4)ncc3c2)ccn1.
What is the InChIKey of N-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide?
The InChIKey is TVMDXCWYKITPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-26-20(31)19-11-17(8-9-27-19)32-16-6-7-18-13(10-16)12-28-21(30-18)29-15-4-2-14(3-5-15)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-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide?
N-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide has a molecular weight of 439.40 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 44602985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).