N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide

C31H25N5O — CID 174721292

IUPACN-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Nc3nc(-c4ccc5[nH]ccc5c4)c4ccccc4n3)cc2)c1
InChIInChI=1S/C31H25N5O/c1-19-15-20(2)17-25(16-19)33-30(37)21-7-10-24(11-8-21)34-31-35-28-6-4-3-5-26(28)29(36-31)23-9-12-27-22(18-23)13-14-32-27/h3-18,32H,1-2H3,(H,33,37)(H,34,35,36)
InChIKeyZMXPBQQNJYIHDP-UHFFFAOYSA-N
MW483.58 g/mol
LogP7.39
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide

N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide (PubChem CID 174721292) has the molecular formula C31H25N5O and a molecular weight of 483.58 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide
PubChem CID174721292
Molecular FormulaC31H25N5O
Molecular Weight483.58 g/mol
Exact Mass483.21
IUPAC NameN-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Nc3nc(-c4ccc5[nH]ccc5c4)c4ccccc4n3)cc2)c1
InChIInChI=1S/C31H25N5O/c1-19-15-20(2)17-25(16-19)33-30(37)21-7-10-24(11-8-21)34-31-35-28-6-4-3-5-26(28)29(36-31)23-9-12-27-22(18-23)13-14-32-27/h3-18,32H,1-2H3,(H,33,37)(H,34,35,36)
InChIKeyZMXPBQQNJYIHDP-UHFFFAOYSA-N
XLogP7.39
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 57.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 174721221
4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide
CID 25071136
N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide
CID 25069523
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 25070810
N-(1H-indol-5-yl)-4-pyridin-3-ylbenzamide
CID 59673715
N-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 25073629
N-[5-(2-cyclopropylethyl)-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 159012205
N-[3-[(2-hydroxyethylamino)methyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 69045980
4-(1H-indol-5-yl)-N-phenylaniline
CID 134533945
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide (CID 174721292) is N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide is Cc1cc(C)cc(NC(=O)c2ccc(Nc3nc(-c4ccc5[nH]ccc5c4)c4ccccc4n3)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide?
The InChIKey is ZMXPBQQNJYIHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O/c1-19-15-20(2)17-25(16-19)33-30(37)21-7-10-24(11-8-21)34-31-35-28-6-4-3-5-26(28)29(36-31)23-9-12-27-22(18-23)13-14-32-27/h3-18,32H,1-2H3,(H,33,37)(H,34,35,36).
What are the key properties of N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide?
N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide has a molecular weight of 483.58 g/mol, XLogP of 7.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide is sourced from PubChem (CID 174721292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).