N-benzyl-6-bromo-N-methylquinazolin-4-amine

C16H14BrN3 — CID 660009

IUPACN-benzyl-6-bromo-N-methylquinazolin-4-amine
SMILESCN(Cc1ccccc1)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C16H14BrN3/c1-20(10-12-5-3-2-4-6-12)16-14-9-13(17)7-8-15(14)18-11-19-16/h2-9,11H,10H2,1H3
InChIKeyXJZIQNNJZWPUOX-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.03
Rot. Bonds3

About N-benzyl-6-bromo-N-methylquinazolin-4-amine

N-benzyl-6-bromo-N-methylquinazolin-4-amine (PubChem CID 660009) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-benzyl-6-bromo-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-bromo-N-methylquinazolin-4-amine
PubChem CID660009
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC NameN-benzyl-6-bromo-N-methylquinazolin-4-amine
SMILESCN(Cc1ccccc1)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C16H14BrN3/c1-20(10-12-5-3-2-4-6-12)16-14-9-13(17)7-8-15(14)18-11-19-16/h2-9,11H,10H2,1H3
InChIKeyXJZIQNNJZWPUOX-UHFFFAOYSA-N
XLogP4.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-bromo-N-methylquinazolin-4-amine?
The IUPAC name of N-benzyl-6-bromo-N-methylquinazolin-4-amine (CID 660009) is N-benzyl-6-bromo-N-methylquinazolin-4-amine.
What is the SMILES notation for N-benzyl-6-bromo-N-methylquinazolin-4-amine?
The canonical SMILES for N-benzyl-6-bromo-N-methylquinazolin-4-amine is CN(Cc1ccccc1)c1ncnc2ccc(Br)cc12.
What is the InChIKey of N-benzyl-6-bromo-N-methylquinazolin-4-amine?
The InChIKey is XJZIQNNJZWPUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-20(10-12-5-3-2-4-6-12)16-14-9-13(17)7-8-15(14)18-11-19-16/h2-9,11H,10H2,1H3.
What are the key properties of N-benzyl-6-bromo-N-methylquinazolin-4-amine?
N-benzyl-6-bromo-N-methylquinazolin-4-amine has a molecular weight of 328.21 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-bromo-N-methylquinazolin-4-amine is sourced from PubChem (CID 660009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).