N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine

C16H14BrN3O2 — CID 4705

IUPACN-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
InChIInChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKeyLSPANGZZENHZNJ-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.15
Rot. Bonds4

About N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine

N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 4705) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID4705
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC NameN-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
InChIInChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKeyLSPANGZZENHZNJ-UHFFFAOYSA-N
XLogP4.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine (CID 4705) is N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC.
What is the InChIKey of N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is LSPANGZZENHZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine?
N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 360.21 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 4705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).