N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine

C14H12BrN3O — CID 133375086

IUPACN-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine
SMILESBrc1ccc(CCNc2ncnc3ccccc23)o1
InChIInChI=1S/C14H12BrN3O/c15-13-6-5-10(19-13)7-8-16-14-11-3-1-2-4-12(11)17-9-18-14/h1-6,9H,7-8H2,(H,16,17,18)
InChIKeyGXGFMPHELSCGPW-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.64
Rot. Bonds4

About N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine

N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine (PubChem CID 133375086) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine
PubChem CID133375086
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC NameN-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine
SMILESBrc1ccc(CCNc2ncnc3ccccc23)o1
InChIInChI=1S/C14H12BrN3O/c15-13-6-5-10(19-13)7-8-16-14-11-3-1-2-4-12(11)17-9-18-14/h1-6,9H,7-8H2,(H,16,17,18)
InChIKeyGXGFMPHELSCGPW-UHFFFAOYSA-N
XLogP3.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine (CID 133375086) is N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine is Brc1ccc(CCNc2ncnc3ccccc23)o1.
What is the InChIKey of N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine?
The InChIKey is GXGFMPHELSCGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-13-6-5-10(19-13)7-8-16-14-11-3-1-2-4-12(11)17-9-18-14/h1-6,9H,7-8H2,(H,16,17,18).
What are the key properties of N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine?
N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine has a molecular weight of 318.17 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromofuran-2-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 133375086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).