7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine

C22H17BrFN3O — CID 86718470

IUPAC7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine
SMILESCc1cc(Br)cc2ncnc(Nc3ccc(F)cc3OCc3ccccc3)c12
InChIInChI=1S/C22H17BrFN3O/c1-14-9-16(23)10-19-21(14)22(26-13-25-19)27-18-8-7-17(24)11-20(18)28-12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,25,26,27)
InChIKeyKIVCKEDWINMQHU-UHFFFAOYSA-N
MW438.30 g/mol
LogP6.16
Rot. Bonds5

About 7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine

7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine (PubChem CID 86718470) has the molecular formula C22H17BrFN3O and a molecular weight of 438.30 g/mol. Its IUPAC name is 7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine
PubChem CID86718470
Molecular FormulaC22H17BrFN3O
Molecular Weight438.30 g/mol
Exact Mass437.05
IUPAC Name7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine
SMILESCc1cc(Br)cc2ncnc(Nc3ccc(F)cc3OCc3ccccc3)c12
InChIInChI=1S/C22H17BrFN3O/c1-14-9-16(23)10-19-21(14)22(26-13-25-19)27-18-8-7-17(24)11-20(18)28-12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,25,26,27)
InChIKeyKIVCKEDWINMQHU-UHFFFAOYSA-N
XLogP6.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.30
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine?
The IUPAC name of 7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine (CID 86718470) is 7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine.
What is the SMILES notation for 7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine?
The canonical SMILES for 7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine is Cc1cc(Br)cc2ncnc(Nc3ccc(F)cc3OCc3ccccc3)c12.
What is the InChIKey of 7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine?
The InChIKey is KIVCKEDWINMQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN3O/c1-14-9-16(23)10-19-21(14)22(26-13-25-19)27-18-8-7-17(24)11-20(18)28-12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,25,26,27).
What are the key properties of 7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine?
7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine has a molecular weight of 438.30 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(4-fluoro-2-phenylmethoxyphenyl)-5-methylquinazolin-4-amine is sourced from PubChem (CID 86718470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).