N-(4-bromophenyl)-2-phenylquinazolin-4-amine

C20H14BrN3 — CID 71462088

IUPACN-(4-bromophenyl)-2-phenylquinazolin-4-amine
SMILESBrc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C20H14BrN3/c21-15-10-12-16(13-11-15)22-20-17-8-4-5-9-18(17)23-19(24-20)14-6-2-1-3-7-14/h1-13H,(H,22,23,24)
InChIKeyXRPPDRKLSSHXML-UHFFFAOYSA-N
MW376.26 g/mol
LogP5.80
Rot. Bonds3

About N-(4-bromophenyl)-2-phenylquinazolin-4-amine

N-(4-bromophenyl)-2-phenylquinazolin-4-amine (PubChem CID 71462088) has the molecular formula C20H14BrN3 and a molecular weight of 376.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-phenylquinazolin-4-amine
PubChem CID71462088
Molecular FormulaC20H14BrN3
Molecular Weight376.26 g/mol
Exact Mass375.04
IUPAC NameN-(4-bromophenyl)-2-phenylquinazolin-4-amine
SMILESBrc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C20H14BrN3/c21-15-10-12-16(13-11-15)22-20-17-8-4-5-9-18(17)23-19(24-20)14-6-2-1-3-7-14/h1-13H,(H,22,23,24)
InChIKeyXRPPDRKLSSHXML-UHFFFAOYSA-N
XLogP5.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-phenylquinazolin-4-amine?
The IUPAC name of N-(4-bromophenyl)-2-phenylquinazolin-4-amine (CID 71462088) is N-(4-bromophenyl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-phenylquinazolin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-2-phenylquinazolin-4-amine is Brc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-phenylquinazolin-4-amine?
The InChIKey is XRPPDRKLSSHXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3/c21-15-10-12-16(13-11-15)22-20-17-8-4-5-9-18(17)23-19(24-20)14-6-2-1-3-7-14/h1-13H,(H,22,23,24).
What are the key properties of N-(4-bromophenyl)-2-phenylquinazolin-4-amine?
N-(4-bromophenyl)-2-phenylquinazolin-4-amine has a molecular weight of 376.26 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 71462088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).