N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide

C35H25BrN4O2 — CID 3640267

IUPACN-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
SMILESCc1ccc2nc(Nc3ccc(C(=O)Nc4ccc(Br)cc4C(=O)c4ccccc4)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C35H25BrN4O2/c1-22-12-18-30-28(20-22)32(23-8-4-2-5-9-23)40-35(39-30)37-27-16-13-25(14-17-27)34(42)38-31-19-15-26(36)21-29(31)33(41)24-10-6-3-7-11-24/h2-21H,1H3,(H,38,42)(H,37,39,40)
InChIKeyNRVZOUZIXYHGFW-UHFFFAOYSA-N
MW613.52 g/mol
LogP8.59
Rot. Bonds7

About N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide

N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide (PubChem CID 3640267) has the molecular formula C35H25BrN4O2 and a molecular weight of 613.52 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
PubChem CID3640267
Molecular FormulaC35H25BrN4O2
Molecular Weight613.52 g/mol
Exact Mass612.12
IUPAC NameN-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
SMILESCc1ccc2nc(Nc3ccc(C(=O)Nc4ccc(Br)cc4C(=O)c4ccccc4)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C35H25BrN4O2/c1-22-12-18-30-28(20-22)32(23-8-4-2-5-9-23)40-35(39-30)37-27-16-13-25(14-17-27)34(42)38-31-19-15-26(36)21-29(31)33(41)24-10-6-3-7-11-24/h2-21H,1H3,(H,38,42)(H,37,39,40)
InChIKeyNRVZOUZIXYHGFW-UHFFFAOYSA-N
XLogP8.59
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.52
LogP ≤ 58.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide (CID 3640267) is N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide is Cc1ccc2nc(Nc3ccc(C(=O)Nc4ccc(Br)cc4C(=O)c4ccccc4)cc3)nc(-c3ccccc3)c2c1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide?
The InChIKey is NRVZOUZIXYHGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25BrN4O2/c1-22-12-18-30-28(20-22)32(23-8-4-2-5-9-23)40-35(39-30)37-27-16-13-25(14-17-27)34(42)38-31-19-15-26(36)21-29(31)33(41)24-10-6-3-7-11-24/h2-21H,1H3,(H,38,42)(H,37,39,40).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide?
N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide has a molecular weight of 613.52 g/mol, XLogP of 8.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 3640267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).