4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide

C29H30N4O — CID 174721221

IUPAC4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Nc3nc(C4CCCCC4)c4ccccc4n3)cc2)c1
InChIInChI=1S/C29H30N4O/c1-19-16-20(2)18-24(17-19)30-28(34)22-12-14-23(15-13-22)31-29-32-26-11-7-6-10-25(26)27(33-29)21-8-4-3-5-9-21/h6-7,10-18,21H,3-5,8-9H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyRWOIRXMHXLLQDG-UHFFFAOYSA-N
MW450.59 g/mol
LogP7.29
Rot. Bonds5

About 4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide

4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide (PubChem CID 174721221) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is 4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide
PubChem CID174721221
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC Name4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Nc3nc(C4CCCCC4)c4ccccc4n3)cc2)c1
InChIInChI=1S/C29H30N4O/c1-19-16-20(2)18-24(17-19)30-28(34)22-12-14-23(15-13-22)31-29-32-26-11-7-6-10-25(26)27(33-29)21-8-4-3-5-9-21/h6-7,10-18,21H,3-5,8-9H2,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyRWOIRXMHXLLQDG-UHFFFAOYSA-N
XLogP7.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4-[[4-(1H-indol-5-yl)quinazolin-2-yl]amino]benzamide
CID 174721292
N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847635
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 25070810
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902
N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide
CID 69091103
N-[5-(2-cyclopropylethyl)-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 159012205
N-(4-cyclohexylphenyl)benzamide
CID 10333838
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide
CID 58865669
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
N-(3,5-dimethylphenyl)-4-formamidobenzamide
CID 168654127

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide?
The IUPAC name of 4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide (CID 174721221) is 4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide is Cc1cc(C)cc(NC(=O)c2ccc(Nc3nc(C4CCCCC4)c4ccccc4n3)cc2)c1.
What is the InChIKey of 4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide?
The InChIKey is RWOIRXMHXLLQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-19-16-20(2)18-24(17-19)30-28(34)22-12-14-23(15-13-22)31-29-32-26-11-7-6-10-25(26)27(33-29)21-8-4-3-5-9-21/h6-7,10-18,21H,3-5,8-9H2,1-2H3,(H,30,34)(H,31,32,33).
What are the key properties of 4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide?
4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide has a molecular weight of 450.59 g/mol, XLogP of 7.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 174721221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).