4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine

C22H20BrN5 — CID 69015346

IUPAC4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine
SMILESCN(C)c1ccccc1-c1ccc2nc(N)nc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C22H20BrN5/c1-28(2)20-9-4-3-8-17(20)14-10-11-19-18(12-14)21(27-22(24)26-19)25-16-7-5-6-15(23)13-16/h3-13H,1-2H3,(H3,24,25,26,27)
InChIKeyBQGWAIJQIPGERA-UHFFFAOYSA-N
MW434.34 g/mol
LogP5.45
Rot. Bonds4

About 4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine

4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine (PubChem CID 69015346) has the molecular formula C22H20BrN5 and a molecular weight of 434.34 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine
PubChem CID69015346
Molecular FormulaC22H20BrN5
Molecular Weight434.34 g/mol
Exact Mass433.09
IUPAC Name4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine
SMILESCN(C)c1ccccc1-c1ccc2nc(N)nc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C22H20BrN5/c1-28(2)20-9-4-3-8-17(20)14-10-11-19-18(12-14)21(27-22(24)26-19)25-16-7-5-6-15(23)13-16/h3-13H,1-2H3,(H3,24,25,26,27)
InChIKeyBQGWAIJQIPGERA-UHFFFAOYSA-N
XLogP5.45
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.34
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine (CID 69015346) is 4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine is CN(C)c1ccccc1-c1ccc2nc(N)nc(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine?
The InChIKey is BQGWAIJQIPGERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5/c1-28(2)20-9-4-3-8-17(20)14-10-11-19-18(12-14)21(27-22(24)26-19)25-16-7-5-6-15(23)13-16/h3-13H,1-2H3,(H3,24,25,26,27).
What are the key properties of 4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine?
4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine has a molecular weight of 434.34 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine is sourced from PubChem (CID 69015346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).