3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide

C25H24BrN5O — CID 69017846

IUPAC3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc3nc(N)nc(Nc4cccc(Br)c4)c3c2)c1
InChIInChI=1S/C25H24BrN5O/c1-3-31(4-2)24(32)18-8-5-7-16(13-18)17-11-12-22-21(14-17)23(30-25(27)29-22)28-20-10-6-9-19(26)15-20/h5-15H,3-4H2,1-2H3,(H3,27,28,29,30)
InChIKeyDFHJUBSJTSLPTA-UHFFFAOYSA-N
MW490.41 g/mol
LogP5.87
Rot. Bonds6

About 3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide

3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide (PubChem CID 69017846) has the molecular formula C25H24BrN5O and a molecular weight of 490.41 g/mol. Its IUPAC name is 3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide
PubChem CID69017846
Molecular FormulaC25H24BrN5O
Molecular Weight490.41 g/mol
Exact Mass489.12
IUPAC Name3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc3nc(N)nc(Nc4cccc(Br)c4)c3c2)c1
InChIInChI=1S/C25H24BrN5O/c1-3-31(4-2)24(32)18-8-5-7-16(13-18)17-11-12-22-21(14-17)23(30-25(27)29-22)28-20-10-6-9-19(26)15-20/h5-15H,3-4H2,1-2H3,(H3,27,28,29,30)
InChIKeyDFHJUBSJTSLPTA-UHFFFAOYSA-N
XLogP5.87
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.41
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide?
The IUPAC name of 3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide (CID 69017846) is 3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide?
The canonical SMILES for 3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(-c2ccc3nc(N)nc(Nc4cccc(Br)c4)c3c2)c1.
What is the InChIKey of 3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide?
The InChIKey is DFHJUBSJTSLPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN5O/c1-3-31(4-2)24(32)18-8-5-7-16(13-18)17-11-12-22-21(14-17)23(30-25(27)29-22)28-20-10-6-9-19(26)15-20/h5-15H,3-4H2,1-2H3,(H3,27,28,29,30).
What are the key properties of 3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide?
3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide has a molecular weight of 490.41 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 69017846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).