4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine

C16H15BrN4 — CID 5328209

IUPAC4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine
SMILESCCNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
InChIInChI=1S/C16H15BrN4/c1-2-18-12-6-7-14-15(9-12)19-10-20-16(14)21-13-5-3-4-11(17)8-13/h3-10,18H,2H2,1H3,(H,19,20,21)
InChIKeyGXYLLTHBINHTRN-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.57
Rot. Bonds4

About 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine

4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine (PubChem CID 5328209) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine
PubChem CID5328209
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine
SMILESCCNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
InChIInChI=1S/C16H15BrN4/c1-2-18-12-6-7-14-15(9-12)19-10-20-16(14)21-13-5-3-4-11(17)8-13/h3-10,18H,2H2,1H3,(H,19,20,21)
InChIKeyGXYLLTHBINHTRN-UHFFFAOYSA-N
XLogP4.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine (CID 5328209) is 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine is CCNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1.
What is the InChIKey of 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine?
The InChIKey is GXYLLTHBINHTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-2-18-12-6-7-14-15(9-12)19-10-20-16(14)21-13-5-3-4-11(17)8-13/h3-10,18H,2H2,1H3,(H,19,20,21).
What are the key properties of 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine?
4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine has a molecular weight of 343.23 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diamine is sourced from PubChem (CID 5328209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).