2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide

C22H16F3N5O3 — CID 71180912

IUPAC2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(OC(F)(F)F)ccc3C(N)=O)c2c1
InChIInChI=1S/C22H16F3N5O3/c1-32-13-5-7-17-16(9-13)21(30-20(28-17)12-3-2-8-27-11-12)29-18-10-14(33-22(23,24)25)4-6-15(18)19(26)31/h2-11H,1H3,(H2,26,31)(H,28,29,30)
InChIKeyTWUJSYZVMGYAJK-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.44
Rot. Bonds6

About 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide

2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide (PubChem CID 71180912) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide
PubChem CID71180912
Molecular FormulaC22H16F3N5O3
Molecular Weight455.40 g/mol
Exact Mass455.12
IUPAC Name2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(OC(F)(F)F)ccc3C(N)=O)c2c1
InChIInChI=1S/C22H16F3N5O3/c1-32-13-5-7-17-16(9-13)21(30-20(28-17)12-3-2-8-27-11-12)29-18-10-14(33-22(23,24)25)4-6-15(18)19(26)31/h2-11H,1H3,(H2,26,31)(H,28,29,30)
InChIKeyTWUJSYZVMGYAJK-UHFFFAOYSA-N
XLogP4.44
TPSA112.25 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 ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
CID 144501294
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 89348047
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
2-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504
2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide
CID 53303494
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
CID 89347943
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide
CID 71180482
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409
3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide
CID 71181121
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
CID 67298380

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide (CID 71180912) is 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide is COc1ccc2nc(-c3cccnc3)nc(Nc3cc(OC(F)(F)F)ccc3C(N)=O)c2c1.
What is the InChIKey of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide?
The InChIKey is TWUJSYZVMGYAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c1-32-13-5-7-17-16(9-13)21(30-20(28-17)12-3-2-8-27-11-12)29-18-10-14(33-22(23,24)25)4-6-15(18)19(26)31/h2-11H,1H3,(H2,26,31)(H,28,29,30).
What are the key properties of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide?
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide has a molecular weight of 455.40 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71180912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).