1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one

C69H45F18N13O7 — CID 157236615

IUPAC1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
SMILESNCC[C@H](c1c(F)cc(F)cc1F)n1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21.O=c1ncn([C@H](CCO)c2c(F)cc(F)cc2F)c2ccc(Oc3ncccc3C(F)(F)F)cc12.[N-]=[N+]=NCC[C@H](c1c(F)cc(F)cc1F)n1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21
InChIInChI=1S/C23H14F6N6O2.C23H16F6N4O2.C23H15F6N3O3/c24-12-8-16(25)20(17(26)9-12)19(5-7-33-34-30)35-11-32-21(36)14-10-13(3-4-18(14)35)37-22-15(23(27,28)29)2-1-6-31-22;24-12-8-16(25)20(17(26)9-12)19(5-6-30)33-11-32-21(34)14-10-13(3-4-18(14)33)35-22-15(23(27,28)29)2-1-7-31-22;24-12-8-16(25)20(17(26)9-12)19(5-7-33)32-11-31-21(34)14-10-13(3-4-18(14)32)35-22-15(23(27,28)29)2-1-6-30-22/h1-4,6,8-11,19H,5,7H2;1-4,7-11,19H,5-6,30H2;1-4,6,8-11,19,33H,5,7H2/t3*19-/m111/s1
InChIKeyAUSCQMUQXMBKJB-XUANKTSHSA-N
MW1510.17 g/mol
LogP16.26
Rot. Bonds19

About 1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one

1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one (PubChem CID 157236615) has the molecular formula C69H45F18N13O7 and a molecular weight of 1510.17 g/mol. Its IUPAC name is 1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one.

Molecular Properties

Compound Name1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
PubChem CID157236615
Molecular FormulaC69H45F18N13O7
Molecular Weight1510.17 g/mol
Exact Mass1509.33
IUPAC Name1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
SMILESNCC[C@H](c1c(F)cc(F)cc1F)n1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21.O=c1ncn([C@H](CCO)c2c(F)cc(F)cc2F)c2ccc(Oc3ncccc3C(F)(F)F)cc12.[N-]=[N+]=NCC[C@H](c1c(F)cc(F)cc1F)n1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21
InChIInChI=1S/C23H14F6N6O2.C23H16F6N4O2.C23H15F6N3O3/c24-12-8-16(25)20(17(26)9-12)19(5-7-33-34-30)35-11-32-21(36)14-10-13(3-4-18(14)35)37-22-15(23(27,28)29)2-1-6-31-22;24-12-8-16(25)20(17(26)9-12)19(5-6-30)33-11-32-21(34)14-10-13(3-4-18(14)33)35-22-15(23(27,28)29)2-1-7-31-22;24-12-8-16(25)20(17(26)9-12)19(5-7-33)32-11-31-21(34)14-10-13(3-4-18(14)32)35-22-15(23(27,28)29)2-1-6-30-22/h1-4,6,8-11,19H,5,7H2;1-4,7-11,19H,5-6,30H2;1-4,6,8-11,19,33H,5,7H2/t3*19-/m111/s1
InChIKeyAUSCQMUQXMBKJB-XUANKTSHSA-N
XLogP16.26
TPSA266.04 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.17
LogP ≤ 516.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one with MolForge

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Related Compounds

1-(2,4-Difluorobenzyl)-6-{[3-(Trifluoromethyl)pyridin-2-Yl]oxy}quinazolin-4(1h)-One
CID 71563398
1-[(2,4-Difluorophenyl)methyl]-7-fluoro-6-[[3-(trifluoromethyl)-2-pyridyl]oxy]quinazolin-4-one
CID 51033687
1-[(2,6-Difluorophenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridyl]oxy]quinazolin-4-one
CID 71713036
6-[[3-(Trifluoromethyl)-2-pyridyl]oxy]-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
CID 71713037
1-[(4-Fluorophenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridyl]oxy]quinazolin-4-one
CID 71712896
1-[(3,4-Difluorophenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridyl]oxy]quinazolin-4-one
CID 71712898
1-[(3,5-Difluorophenyl)methyl]-6-[[3-(trifluoromethyl)-2-pyridyl]oxy]quinazolin-4-one
CID 71712899
N-[3-[(2-amino-2-oxoethyl)-methylamino]-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11505813
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11541956
N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11578197
N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 11585408
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-pyridin-4-ylethyl)acetamide
CID 11621654

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
The IUPAC name of 1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one (CID 157236615) is 1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one.
What is the SMILES notation for 1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
The canonical SMILES for 1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one is NCC[C@H](c1c(F)cc(F)cc1F)n1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21.O=c1ncn([C@H](CCO)c2c(F)cc(F)cc2F)c2ccc(Oc3ncccc3C(F)(F)F)cc12.[N-]=[N+]=NCC[C@H](c1c(F)cc(F)cc1F)n1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21.
What is the InChIKey of 1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
The InChIKey is AUSCQMUQXMBKJB-XUANKTSHSA-N. The full InChI is InChI=1S/C23H14F6N6O2.C23H16F6N4O2.C23H15F6N3O3/c24-12-8-16(25)20(17(26)9-12)19(5-7-33-34-30)35-11-32-21(36)14-10-13(3-4-18(14)35)37-22-15(23(27,28)29)2-1-6-31-22;24-12-8-16(25)20(17(26)9-12)19(5-6-30)33-11-32-21(34)14-10-13(3-4-18(14)33)35-22-15(23(27,28)29)2-1-7-31-22;24-12-8-16(25)20(17(26)9-12)19(5-7-33)32-11-31-21(34)14-10-13(3-4-18(14)32)35-22-15(23(27,28)29)2-1-6-30-22/h1-4,6,8-11,19H,5,7H2;1-4,7-11,19H,5-6,30H2;1-4,6,8-11,19,33H,5,7H2/t3*19-/m111/s1.
What are the key properties of 1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one has a molecular weight of 1510.17 g/mol, XLogP of 16.26, 19 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-amino-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-azido-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(1R)-3-hydroxy-1-(2,4,6-trifluorophenyl)propyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one is sourced from PubChem (CID 157236615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).