N-benzyl-6-bromo-N-ethylquinazolin-4-amine

C17H16BrN3 — CID 709522

IUPACN-benzyl-6-bromo-N-ethylquinazolin-4-amine
SMILESCCN(Cc1ccccc1)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C17H16BrN3/c1-2-21(11-13-6-4-3-5-7-13)17-15-10-14(18)8-9-16(15)19-12-20-17/h3-10,12H,2,11H2,1H3
InChIKeyZPPFWCRLEZPCJM-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.42
Rot. Bonds4

About N-benzyl-6-bromo-N-ethylquinazolin-4-amine

N-benzyl-6-bromo-N-ethylquinazolin-4-amine (PubChem CID 709522) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-benzyl-6-bromo-N-ethylquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-bromo-N-ethylquinazolin-4-amine
PubChem CID709522
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC NameN-benzyl-6-bromo-N-ethylquinazolin-4-amine
SMILESCCN(Cc1ccccc1)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C17H16BrN3/c1-2-21(11-13-6-4-3-5-7-13)17-15-10-14(18)8-9-16(15)19-12-20-17/h3-10,12H,2,11H2,1H3
InChIKeyZPPFWCRLEZPCJM-UHFFFAOYSA-N
XLogP4.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-bromo-N-ethylquinazolin-4-amine?
The IUPAC name of N-benzyl-6-bromo-N-ethylquinazolin-4-amine (CID 709522) is N-benzyl-6-bromo-N-ethylquinazolin-4-amine.
What is the SMILES notation for N-benzyl-6-bromo-N-ethylquinazolin-4-amine?
The canonical SMILES for N-benzyl-6-bromo-N-ethylquinazolin-4-amine is CCN(Cc1ccccc1)c1ncnc2ccc(Br)cc12.
What is the InChIKey of N-benzyl-6-bromo-N-ethylquinazolin-4-amine?
The InChIKey is ZPPFWCRLEZPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-2-21(11-13-6-4-3-5-7-13)17-15-10-14(18)8-9-16(15)19-12-20-17/h3-10,12H,2,11H2,1H3.
What are the key properties of N-benzyl-6-bromo-N-ethylquinazolin-4-amine?
N-benzyl-6-bromo-N-ethylquinazolin-4-amine has a molecular weight of 342.24 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-bromo-N-ethylquinazolin-4-amine is sourced from PubChem (CID 709522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).