6-bromo-N-(3-methylphenyl)quinazolin-4-amine

C15H12BrN3 — CID 720633

IUPAC6-bromo-N-(3-methylphenyl)quinazolin-4-amine
SMILESCc1cccc(Nc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C15H12BrN3/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyCGCSONSXFOSORP-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.44
Rot. Bonds2

About 6-bromo-N-(3-methylphenyl)quinazolin-4-amine

6-bromo-N-(3-methylphenyl)quinazolin-4-amine (PubChem CID 720633) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 6-bromo-N-(3-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-methylphenyl)quinazolin-4-amine
PubChem CID720633
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name6-bromo-N-(3-methylphenyl)quinazolin-4-amine
SMILESCc1cccc(Nc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C15H12BrN3/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyCGCSONSXFOSORP-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methylphenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-methylphenyl)quinazolin-4-amine (CID 720633) is 6-bromo-N-(3-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-methylphenyl)quinazolin-4-amine is Cc1cccc(Nc2ncnc3ccc(Br)cc23)c1.
What is the InChIKey of 6-bromo-N-(3-methylphenyl)quinazolin-4-amine?
The InChIKey is CGCSONSXFOSORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19).
What are the key properties of 6-bromo-N-(3-methylphenyl)quinazolin-4-amine?
6-bromo-N-(3-methylphenyl)quinazolin-4-amine has a molecular weight of 314.19 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 720633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).