6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

C21H15Br2N3O — CID 23966453

IUPAC6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESBrc1cc(Br)c2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C21H15Br2N3O/c22-15-10-18-20(19(23)11-15)24-13-25-21(18)26-16-6-8-17(9-7-16)27-12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,24,25,26)
InChIKeyBGPXVCHXPLFYHG-UHFFFAOYSA-N
MW485.18 g/mol
LogP6.48
Rot. Bonds5

About 6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (PubChem CID 23966453) has the molecular formula C21H15Br2N3O and a molecular weight of 485.18 g/mol. Its IUPAC name is 6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
PubChem CID23966453
Molecular FormulaC21H15Br2N3O
Molecular Weight485.18 g/mol
Exact Mass482.96
IUPAC Name6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESBrc1cc(Br)c2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C21H15Br2N3O/c22-15-10-18-20(19(23)11-15)24-13-25-21(18)26-16-6-8-17(9-7-16)27-12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,24,25,26)
InChIKeyBGPXVCHXPLFYHG-UHFFFAOYSA-N
XLogP6.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.18
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
4-(4-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 177257041
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 23941005
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine
CID 110434524
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 22112865
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 90989523

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (CID 23966453) is 6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is Brc1cc(Br)c2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1.
What is the InChIKey of 6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The InChIKey is BGPXVCHXPLFYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Br2N3O/c22-15-10-18-20(19(23)11-15)24-13-25-21(18)26-16-6-8-17(9-7-16)27-12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,24,25,26).
What are the key properties of 6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine has a molecular weight of 485.18 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 23966453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).