N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide

C30H26N4O — CID 3129496

IUPACN-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
SMILESCc1ccc2nc(Nc3ccc(C(=O)Nc4c(C)cccc4C)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C30H26N4O/c1-19-12-17-26-25(18-19)28(22-10-5-4-6-11-22)34-30(32-26)31-24-15-13-23(14-16-24)29(35)33-27-20(2)8-7-9-21(27)3/h4-18H,1-3H3,(H,33,35)(H,31,32,34)
InChIKeyNHDKASLUWAJFES-UHFFFAOYSA-N
MW458.57 g/mol
LogP7.22
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide

N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide (PubChem CID 3129496) has the molecular formula C30H26N4O and a molecular weight of 458.57 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
PubChem CID3129496
Molecular FormulaC30H26N4O
Molecular Weight458.57 g/mol
Exact Mass458.21
IUPAC NameN-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
SMILESCc1ccc2nc(Nc3ccc(C(=O)Nc4c(C)cccc4C)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C30H26N4O/c1-19-12-17-26-25(18-19)28(22-10-5-4-6-11-22)34-30(32-26)31-24-15-13-23(14-16-24)29(35)33-27-20(2)8-7-9-21(27)3/h4-18H,1-3H3,(H,33,35)(H,31,32,34)
InChIKeyNHDKASLUWAJFES-UHFFFAOYSA-N
XLogP7.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide
CID 25069523
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide
CID 69091103
N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide
CID 140595625
4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine
CID 3851416
6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine
CID 782171
6-methyl-4-phenyl-N-pyridin-3-ylquinazolin-2-amine
CID 4714222
N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 72724706
3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide
CID 4276068
N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 16644401
(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 929491

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide (CID 3129496) is N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide is Cc1ccc2nc(Nc3ccc(C(=O)Nc4c(C)cccc4C)cc3)nc(-c3ccccc3)c2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide?
The InChIKey is NHDKASLUWAJFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O/c1-19-12-17-26-25(18-19)28(22-10-5-4-6-11-22)34-30(32-26)31-24-15-13-23(14-16-24)29(35)33-27-20(2)8-7-9-21(27)3/h4-18H,1-3H3,(H,33,35)(H,31,32,34).
What are the key properties of N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide?
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide has a molecular weight of 458.57 g/mol, XLogP of 7.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 3129496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).