6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

C21H16FN3O — CID 54550318

IUPAC6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESFc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C21H16FN3O/c22-16-6-11-20-19(12-16)21(24-14-23-20)25-17-7-9-18(10-8-17)26-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,23,24,25)
InChIKeyZJKUJWGISOTRBR-UHFFFAOYSA-N
MW345.38 g/mol
LogP5.09
Rot. Bonds5

About 6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (PubChem CID 54550318) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
PubChem CID54550318
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESFc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C21H16FN3O/c22-16-6-11-20-19(12-16)21(24-14-23-20)25-17-7-9-18(10-8-17)26-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,23,24,25)
InChIKeyZJKUJWGISOTRBR-UHFFFAOYSA-N
XLogP5.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol
CID 155525820
N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(furan-2-yl)quinazolin-4-amine
CID 141012706
4-N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 22112855
4-phenylmethoxyaniline;N-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enamide
CID 18535778
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
6-[3-(2-methylsulfonylethylamino)propoxy]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329486
N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 22112865

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (CID 54550318) is 6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is Fc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1.
What is the InChIKey of 6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The InChIKey is ZJKUJWGISOTRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-16-6-11-20-19(12-16)21(24-14-23-20)25-17-7-9-18(10-8-17)26-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,23,24,25).
What are the key properties of 6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine has a molecular weight of 345.38 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 54550318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).