N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine

C15H11BrClN3 — CID 63548020

IUPACN-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine
SMILESCc1ccc(Nc2nc(Cl)nc3ccccc23)c(Br)c1
InChIInChI=1S/C15H11BrClN3/c1-9-6-7-13(11(16)8-9)18-14-10-4-2-3-5-12(10)19-15(17)20-14/h2-8H,1H3,(H,18,19,20)
InChIKeyJMGZGPTXCOFSFL-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.10
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine

N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine (PubChem CID 63548020) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine
PubChem CID63548020
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC NameN-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine
SMILESCc1ccc(Nc2nc(Cl)nc3ccccc23)c(Br)c1
InChIInChI=1S/C15H11BrClN3/c1-9-6-7-13(11(16)8-9)18-14-10-4-2-3-5-12(10)19-15(17)20-14/h2-8H,1H3,(H,18,19,20)
InChIKeyJMGZGPTXCOFSFL-UHFFFAOYSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine (CID 63548020) is N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine is Cc1ccc(Nc2nc(Cl)nc3ccccc23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine?
The InChIKey is JMGZGPTXCOFSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c1-9-6-7-13(11(16)8-9)18-14-10-4-2-3-5-12(10)19-15(17)20-14/h2-8H,1H3,(H,18,19,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine?
N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine has a molecular weight of 348.63 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-chloroquinazolin-4-amine is sourced from PubChem (CID 63548020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).