N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide

C30H26N4O2 — CID 25069523

IUPACN-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide
SMILESCOc1ccc(-c2nc(Nc3ccc(C(=O)Nc4c(C)cccc4C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C30H26N4O2/c1-19-7-6-8-20(2)27(19)33-29(35)22-11-15-23(16-12-22)31-30-32-26-10-5-4-9-25(26)28(34-30)21-13-17-24(36-3)18-14-21/h4-18H,1-3H3,(H,33,35)(H,31,32,34)
InChIKeyXMSHSRIGRNQJSQ-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.92
Rot. Bonds6

About N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide

N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide (PubChem CID 25069523) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide
PubChem CID25069523
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC NameN-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide
SMILESCOc1ccc(-c2nc(Nc3ccc(C(=O)Nc4c(C)cccc4C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C30H26N4O2/c1-19-7-6-8-20(2)27(19)33-29(35)22-11-15-23(16-12-22)31-30-32-26-10-5-4-9-25(26)28(34-30)21-13-17-24(36-3)18-14-21/h4-18H,1-3H3,(H,33,35)(H,31,32,34)
InChIKeyXMSHSRIGRNQJSQ-UHFFFAOYSA-N
XLogP6.92
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide
CID 25071136
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide
CID 69091103
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
N-(2,6-dimethylphenyl)-4-[[4-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 72724930
N-(2,6-dimethylphenyl)-4-[[5-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 72724860
N-[3-[(2-hydroxyethylamino)methyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 69045980
N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide
CID 174721292
N-[5-(2-cyclopropylethyl)-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 159012205
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109267728
N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide
CID 14528232
N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 25073629

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide (CID 25069523) is N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide is COc1ccc(-c2nc(Nc3ccc(C(=O)Nc4c(C)cccc4C)cc3)nc3ccccc23)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide?
The InChIKey is XMSHSRIGRNQJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2/c1-19-7-6-8-20(2)27(19)33-29(35)22-11-15-23(16-12-22)31-30-32-26-10-5-4-9-25(26)28(34-30)21-13-17-24(36-3)18-14-21/h4-18H,1-3H3,(H,33,35)(H,31,32,34).
What are the key properties of N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide?
N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide has a molecular weight of 474.56 g/mol, XLogP of 6.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide is sourced from PubChem (CID 25069523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).