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

C16H15BrClN3O2 — CID 11246488

IUPACN-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC.Cl
InChIInChI=1S/C16H14BrN3O2.ClH/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);1H
InChIKeyZJOKWAWPAPMNIM-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.57
Rot. Bonds4

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

N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride (PubChem CID 11246488) has the molecular formula C16H15BrClN3O2 and a molecular weight of 396.67 g/mol. Its IUPAC name is N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
PubChem CID11246488
Molecular FormulaC16H15BrClN3O2
Molecular Weight396.67 g/mol
Exact Mass395.00
IUPAC NameN-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC.Cl
InChIInChI=1S/C16H14BrN3O2.ClH/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);1H
InChIKeyZJOKWAWPAPMNIM-UHFFFAOYSA-N
XLogP4.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.57
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;hydrochloride?
The IUPAC name of N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride (CID 11246488) is N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride is COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC.Cl.
What is the InChIKey of N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The InChIKey is ZJOKWAWPAPMNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2.ClH/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);1H.
What are the key properties of N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride has a molecular weight of 396.67 g/mol, XLogP of 4.57, 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;hydrochloride is sourced from PubChem (CID 11246488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).