N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine

C22H18BrN3 — CID 23994050

IUPACN-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine
SMILESCN(Cc1ccccc1)c1nc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C22H18BrN3/c1-26(15-16-8-4-2-5-9-16)22-19-14-18(23)12-13-20(19)24-21(25-22)17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyTZQAZYXDMBHILG-UHFFFAOYSA-N
MW404.31 g/mol
LogP5.70
Rot. Bonds4

About N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine

N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine (PubChem CID 23994050) has the molecular formula C22H18BrN3 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine
PubChem CID23994050
Molecular FormulaC22H18BrN3
Molecular Weight404.31 g/mol
Exact Mass403.07
IUPAC NameN-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine
SMILESCN(Cc1ccccc1)c1nc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C22H18BrN3/c1-26(15-16-8-4-2-5-9-16)22-19-14-18(23)12-13-20(19)24-21(25-22)17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyTZQAZYXDMBHILG-UHFFFAOYSA-N
XLogP5.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 55.70
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-methyl-2-phenylquinazolin-4-amine?
The IUPAC name of N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine (CID 23994050) is N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine?
The canonical SMILES for N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine is CN(Cc1ccccc1)c1nc(-c2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine?
The InChIKey is TZQAZYXDMBHILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3/c1-26(15-16-8-4-2-5-9-16)22-19-14-18(23)12-13-20(19)24-21(25-22)17-10-6-3-7-11-17/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine?
N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine has a molecular weight of 404.31 g/mol, XLogP of 5.70, 4 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-methyl-2-phenylquinazolin-4-amine is sourced from PubChem (CID 23994050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).