6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine

C24H16BrN3 — CID 2173830

IUPAC6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine
SMILESBrc1ccc2nc(Nc3cccc4ccccc34)nc(-c3ccccc3)c2c1
InChIInChI=1S/C24H16BrN3/c25-18-13-14-22-20(15-18)23(17-8-2-1-3-9-17)28-24(27-22)26-21-12-6-10-16-7-4-5-11-19(16)21/h1-15H,(H,26,27,28)
InChIKeyJPASMDCEXISWRW-UHFFFAOYSA-N
MW426.32 g/mol
LogP6.96
Rot. Bonds3

About 6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine

6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine (PubChem CID 2173830) has the molecular formula C24H16BrN3 and a molecular weight of 426.32 g/mol. Its IUPAC name is 6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine
PubChem CID2173830
Molecular FormulaC24H16BrN3
Molecular Weight426.32 g/mol
Exact Mass425.05
IUPAC Name6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine
SMILESBrc1ccc2nc(Nc3cccc4ccccc34)nc(-c3ccccc3)c2c1
InChIInChI=1S/C24H16BrN3/c25-18-13-14-22-20(15-18)23(17-8-2-1-3-9-17)28-24(27-22)26-21-12-6-10-16-7-4-5-11-19(16)21/h1-15H,(H,26,27,28)
InChIKeyJPASMDCEXISWRW-UHFFFAOYSA-N
XLogP6.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.32
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)benzo[g]quinazolin-4-amine
CID 5328245
6-bromo-N2-phenylquinazoline-2,4-diamine
CID 145998261
5-Phenethylquinazoline-2,4-diamine
CID 490662
6-bromo-N-m-tolylquinazolin-4-amine
CID 720633
6-Bromo-2-methoxy-4-phenylquinazoline
CID 746070
N6-[(3-bromophenyl)methyl]quinazoline-2,4,6-triamine
CID 44384038
2-[(6-Bromo-4-phenylquinazolin-2-yl)amino]ethanol
CID 1917223
8-Bromobenzo[f]quinazoline-1,3-diamine
CID 456185
2,4-Diamino-5-[2-[2-naphthyl]ethyl]quinazoline
CID 588277
(6-Methyl-4-phenyl-quinazolin-2-yl)-m-tolyl-amine
CID 767352
ST50182375
CID 1187421
N-(4-bromophenyl)-6-methyl-4-phenylquinazolin-2-amine
CID 1961542

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine?
The IUPAC name of 6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine (CID 2173830) is 6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine.
What is the SMILES notation for 6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine?
The canonical SMILES for 6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine is Brc1ccc2nc(Nc3cccc4ccccc34)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine?
The InChIKey is JPASMDCEXISWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN3/c25-18-13-14-22-20(15-18)23(17-8-2-1-3-9-17)28-24(27-22)26-21-12-6-10-16-7-4-5-11-19(16)21/h1-15H,(H,26,27,28).
What are the key properties of 6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine?
6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine has a molecular weight of 426.32 g/mol, XLogP of 6.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-naphthalen-1-yl-4-phenylquinazolin-2-amine is sourced from PubChem (CID 2173830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).