4-bromo-8-phenyl-8,8a-dihydroquinazoline

C14H11BrN2 — CID 163590970

IUPAC4-bromo-8-phenyl-8,8a-dihydroquinazoline
SMILESBrC1=NC=NC2C1=CC=CC2c1ccccc1
InChIInChI=1S/C14H11BrN2/c15-14-12-8-4-7-11(13(12)16-9-17-14)10-5-2-1-3-6-10/h1-9,11,13H
InChIKeyGPMUATUJQSBXTB-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.47
Rot. Bonds1

About 4-bromo-8-phenyl-8,8a-dihydroquinazoline

4-bromo-8-phenyl-8,8a-dihydroquinazoline (PubChem CID 163590970) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-8-phenyl-8,8a-dihydroquinazoline.

Molecular Properties

Compound Name4-bromo-8-phenyl-8,8a-dihydroquinazoline
PubChem CID163590970
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name4-bromo-8-phenyl-8,8a-dihydroquinazoline
SMILESBrC1=NC=NC2C1=CC=CC2c1ccccc1
InChIInChI=1S/C14H11BrN2/c15-14-12-8-4-7-11(13(12)16-9-17-14)10-5-2-1-3-6-10/h1-9,11,13H
InChIKeyGPMUATUJQSBXTB-UHFFFAOYSA-N
XLogP3.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-phenyl-8,8a-dihydroquinazoline?
The IUPAC name of 4-bromo-8-phenyl-8,8a-dihydroquinazoline (CID 163590970) is 4-bromo-8-phenyl-8,8a-dihydroquinazoline.
What is the SMILES notation for 4-bromo-8-phenyl-8,8a-dihydroquinazoline?
The canonical SMILES for 4-bromo-8-phenyl-8,8a-dihydroquinazoline is BrC1=NC=NC2C1=CC=CC2c1ccccc1.
What is the InChIKey of 4-bromo-8-phenyl-8,8a-dihydroquinazoline?
The InChIKey is GPMUATUJQSBXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-14-12-8-4-7-11(13(12)16-9-17-14)10-5-2-1-3-6-10/h1-9,11,13H.
What are the key properties of 4-bromo-8-phenyl-8,8a-dihydroquinazoline?
4-bromo-8-phenyl-8,8a-dihydroquinazoline has a molecular weight of 287.16 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-phenyl-8,8a-dihydroquinazoline is sourced from PubChem (CID 163590970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).