N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine

C23H18F3N3O2 — CID 56981677

IUPACN-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
SMILESFC(F)(F)COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C23H18F3N3O2/c24-23(25,26)14-31-19-10-11-21-20(12-19)22(28-15-27-21)29-17-6-8-18(9-7-17)30-13-16-4-2-1-3-5-16/h1-12,15H,13-14H2,(H,27,28,29)
InChIKeyKNUIMUUOIILGHP-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.89
Rot. Bonds7

About N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine

N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine (PubChem CID 56981677) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
PubChem CID56981677
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC NameN-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
SMILESFC(F)(F)COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C23H18F3N3O2/c24-23(25,26)14-31-19-10-11-21-20(12-19)22(28-15-27-21)29-17-6-8-18(9-7-17)30-13-16-4-2-1-3-5-16/h1-12,15H,13-14H2,(H,27,28,29)
InChIKeyKNUIMUUOIILGHP-UHFFFAOYSA-N
XLogP5.89
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
4-chloro-7-(trifluoromethyl)quinazoline;N-(4-phenylmethoxyphenyl)-7-(trifluoromethyl)quinazolin-4-amine;hydrochloride
CID 160518388
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
6-[3-(2-methylsulfonylethylamino)propoxy]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329486
4-phenylmethoxyaniline;N-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enamide
CID 18535778
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine
CID 141012706
N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 22112865
6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23966453

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine?
The IUPAC name of N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine (CID 56981677) is N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine is FC(F)(F)COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine?
The InChIKey is KNUIMUUOIILGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c24-23(25,26)14-31-19-10-11-21-20(12-19)22(28-15-27-21)29-17-6-8-18(9-7-17)30-13-16-4-2-1-3-5-16/h1-12,15H,13-14H2,(H,27,28,29).
What are the key properties of N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine?
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine has a molecular weight of 425.41 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine is sourced from PubChem (CID 56981677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).