N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide

C19H16BrF3N4O2 — CID 141171354

IUPACN-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide
SMILESCC(=O)NCCOc1ccc2c(Nc3ccc(Br)cc3C(F)(F)F)ncnc2c1
InChIInChI=1S/C19H16BrF3N4O2/c1-11(28)24-6-7-29-13-3-4-14-17(9-13)25-10-26-18(14)27-16-5-2-12(20)8-15(16)19(21,22)23/h2-5,8-10H,6-7H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyOSXRIPBZSQQBDT-UHFFFAOYSA-N
MW469.26 g/mol
LogP4.67
Rot. Bonds6

About N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide

N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide (PubChem CID 141171354) has the molecular formula C19H16BrF3N4O2 and a molecular weight of 469.26 g/mol. Its IUPAC name is N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide
PubChem CID141171354
Molecular FormulaC19H16BrF3N4O2
Molecular Weight469.26 g/mol
Exact Mass468.04
IUPAC NameN-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide
SMILESCC(=O)NCCOc1ccc2c(Nc3ccc(Br)cc3C(F)(F)F)ncnc2c1
InChIInChI=1S/C19H16BrF3N4O2/c1-11(28)24-6-7-29-13-3-4-14-17(9-13)25-10-26-18(14)27-16-5-2-12(20)8-15(16)19(21,22)23/h2-5,8-10H,6-7H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyOSXRIPBZSQQBDT-UHFFFAOYSA-N
XLogP4.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.26
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(4-bromo-3-chloro-2-fluoroanilino)quinazolin-7-yl]oxyethyl]-3-propylurea
CID 141171359
N-[2-[6-amino-4-(4-bromo-2,6-difluoroanilino)quinazolin-7-yl]oxyethyl]acetamide
CID 69100418
[7-acetyloxy-4-[2-(trifluoromethyl)anilino]quinazolin-6-yl] acetate
CID 122446156
N-[7-(2-acetamidoethoxy)-4-(4-bromo-2-fluoroanilino)quinazolin-8-yl]prop-2-enamide
CID 89465100
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
N-[4-(4-bromo-2-fluoroanilino)-7-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]quinazolin-6-yl]prop-2-enamide
CID 16678755
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
N-[2-[6-amino-4-(4-bromo-2-fluoroanilino)quinazolin-7-yl]oxyethyl]-2-(dimethylamino)acetamide
CID 69100568
N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]quinazolin-4-amine
CID 140994402
N-[4-(4-bromo-2-fluoroanilino)-7-[2-(carbamoylamino)ethoxy]quinazolin-6-yl]prop-2-enamide
CID 16678955
4-(4-bromo-2-fluoroanilino)quinazolin-7-ol
CID 136619749
4-(2-acetamidoethylamino)quinazoline-7-carboxylic acid
CID 63263209

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide?
The IUPAC name of N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide (CID 141171354) is N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide.
What is the SMILES notation for N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide?
The canonical SMILES for N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide is CC(=O)NCCOc1ccc2c(Nc3ccc(Br)cc3C(F)(F)F)ncnc2c1.
What is the InChIKey of N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide?
The InChIKey is OSXRIPBZSQQBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N4O2/c1-11(28)24-6-7-29-13-3-4-14-17(9-13)25-10-26-18(14)27-16-5-2-12(20)8-15(16)19(21,22)23/h2-5,8-10H,6-7H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide?
N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide has a molecular weight of 469.26 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-bromo-2-(trifluoromethyl)anilino]quinazolin-7-yl]oxyethyl]acetamide is sourced from PubChem (CID 141171354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).