N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine

C16H13Br2N3O2 — CID 22172651

IUPACN-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Br)cc3Br)c2cc1OC
InChIInChI=1S/C16H13Br2N3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)
InChIKeyYAHPMVMCCIAEND-UHFFFAOYSA-N
MW439.11 g/mol
LogP4.92
Rot. Bonds4

About N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine

N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 22172651) has the molecular formula C16H13Br2N3O2 and a molecular weight of 439.11 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID22172651
Molecular FormulaC16H13Br2N3O2
Molecular Weight439.11 g/mol
Exact Mass436.94
IUPAC NameN-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Br)cc3Br)c2cc1OC
InChIInChI=1S/C16H13Br2N3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)
InChIKeyYAHPMVMCCIAEND-UHFFFAOYSA-N
XLogP4.92
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.11
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine
CID 141250948
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
CID 170967439
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
7-[[(3R,3aS,6R,6aR)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-N-(2-bromo-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 66838574
N-(5-bromo-2-methoxyphenyl)-7-methoxy-6-nitroquinazolin-4-amine
CID 166086413
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-1-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 66608879
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine
CID 118884409

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine (CID 22172651) is N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Br)cc3Br)c2cc1OC.
What is the InChIKey of N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is YAHPMVMCCIAEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine?
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 439.11 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 22172651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).