N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide

C25H21F3N4O — CID 11546872

IUPACN-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(=O)Nc2cc(-c3ccc4nc(N)ncc4c3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H21F3N4O/c1-14(2)15-4-3-5-17(8-15)23(33)31-21-11-18(10-20(12-21)25(26,27)28)16-6-7-22-19(9-16)13-30-24(29)32-22/h3-14H,1-2H3,(H,31,33)(H2,29,30,32)
InChIKeySNFJZOJQXVWZIM-UHFFFAOYSA-N
MW450.46 g/mol
LogP6.27
Rot. Bonds4

About N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide

N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide (PubChem CID 11546872) has the molecular formula C25H21F3N4O and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide
PubChem CID11546872
Molecular FormulaC25H21F3N4O
Molecular Weight450.46 g/mol
Exact Mass450.17
IUPAC NameN-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(=O)Nc2cc(-c3ccc4nc(N)ncc4c3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H21F3N4O/c1-14(2)15-4-3-5-17(8-15)23(33)31-21-11-18(10-20(12-21)25(26,27)28)16-6-7-22-19(9-16)13-30-24(29)32-22/h3-14H,1-2H3,(H,31,33)(H2,29,30,32)
InChIKeySNFJZOJQXVWZIM-UHFFFAOYSA-N
XLogP6.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58829955
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]benzamide
CID 58829992
N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 58829569
5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58830114
3-(2-aminoquinazolin-6-yl)-N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58829444
3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide
CID 58829165
3-(2-aminoquinazolin-6-yl)benzoic acid
CID 58829166
3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)benzamide
CID 11661046
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 161355693
3-isoquinolin-7-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11574683
methyl 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 53356057

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide?
The IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide (CID 11546872) is N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide is CC(C)c1cccc(C(=O)Nc2cc(-c3ccc4nc(N)ncc4c3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide?
The InChIKey is SNFJZOJQXVWZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O/c1-14(2)15-4-3-5-17(8-15)23(33)31-21-11-18(10-20(12-21)25(26,27)28)16-6-7-22-19(9-16)13-30-24(29)32-22/h3-14H,1-2H3,(H,31,33)(H2,29,30,32).
What are the key properties of N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide?
N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide has a molecular weight of 450.46 g/mol, XLogP of 6.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide is sourced from PubChem (CID 11546872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).