4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide

C30H25N5O2 — CID 25071136

IUPAC4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Nc2nc(-c3ccc(C(N)=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C30H25N5O2/c1-18-6-5-7-19(2)26(18)34-29(37)22-14-16-23(17-15-22)32-30-33-25-9-4-3-8-24(25)27(35-30)20-10-12-21(13-11-20)28(31)36/h3-17H,1-2H3,(H2,31,36)(H,34,37)(H,32,33,35)
InChIKeyXQFZHCMYWTTWRF-UHFFFAOYSA-N
MW487.56 g/mol
LogP6.01
Rot. Bonds6

About 4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide

4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide (PubChem CID 25071136) has the molecular formula C30H25N5O2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide
PubChem CID25071136
Molecular FormulaC30H25N5O2
Molecular Weight487.56 g/mol
Exact Mass487.20
IUPAC Name4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Nc2nc(-c3ccc(C(N)=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C30H25N5O2/c1-18-6-5-7-19(2)26(18)34-29(37)22-14-16-23(17-15-22)32-30-33-25-9-4-3-8-24(25)27(35-30)20-10-12-21(13-11-20)28(31)36/h3-17H,1-2H3,(H2,31,36)(H,34,37)(H,32,33,35)
InChIKeyXQFZHCMYWTTWRF-UHFFFAOYSA-N
XLogP6.01
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide
CID 69091103
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
N-[3-[(2-hydroxyethylamino)methyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 69045980
4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide
CID 50944573
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-[5-[2-(dimethylamino)ethylsulfamoyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 25073629
N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 72724706
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 25070810
N-(2,6-dimethylphenyl)-4-[[5-methyl-4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 72725627

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide?
The IUPAC name of 4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide (CID 25071136) is 4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide.
What is the SMILES notation for 4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide?
The canonical SMILES for 4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide is Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc(-c3ccc(C(N)=O)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide?
The InChIKey is XQFZHCMYWTTWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O2/c1-18-6-5-7-19(2)26(18)34-29(37)22-14-16-23(17-15-22)32-30-33-25-9-4-3-8-24(25)27(35-30)20-10-12-21(13-11-20)28(31)36/h3-17H,1-2H3,(H2,31,36)(H,34,37)(H,32,33,35).
What are the key properties of 4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide?
4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide has a molecular weight of 487.56 g/mol, XLogP of 6.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide is sourced from PubChem (CID 25071136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).