N-(3-bromophenyl)quinazolin-4-amine

C14H10BrN3 — CID 735125

IUPACN-(3-bromophenyl)quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C14H10BrN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
InChIKeySUTRLYZWRGPLSJ-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.14
Rot. Bonds2

About N-(3-bromophenyl)quinazolin-4-amine

N-(3-bromophenyl)quinazolin-4-amine (PubChem CID 735125) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(3-bromophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)quinazolin-4-amine
PubChem CID735125
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC NameN-(3-bromophenyl)quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C14H10BrN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
InChIKeySUTRLYZWRGPLSJ-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)quinazolin-4-amine (CID 735125) is N-(3-bromophenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)quinazolin-4-amine is Brc1cccc(Nc2ncnc3ccccc23)c1.
What is the InChIKey of N-(3-bromophenyl)quinazolin-4-amine?
The InChIKey is SUTRLYZWRGPLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18).
What are the key properties of N-(3-bromophenyl)quinazolin-4-amine?
N-(3-bromophenyl)quinazolin-4-amine has a molecular weight of 300.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)quinazolin-4-amine is sourced from PubChem (CID 735125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).