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

C26H24N4O — CID 44565643

IUPAC4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Nc2nc(C3CC3)c3ccccc3n2)cc1
InChIInChI=1S/C26H24N4O/c1-16-6-5-7-17(2)23(16)29-25(31)19-12-14-20(15-13-19)27-26-28-22-9-4-3-8-21(22)24(30-26)18-10-11-18/h3-9,12-15,18H,10-11H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyBDBSUESQZJUWIW-UHFFFAOYSA-N
MW408.51 g/mol
LogP6.12
Rot. Bonds5

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

4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide (PubChem CID 44565643) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide
PubChem CID44565643
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Nc2nc(C3CC3)c3ccccc3n2)cc1
InChIInChI=1S/C26H24N4O/c1-16-6-5-7-17(2)23(16)29-25(31)19-12-14-20(15-13-19)27-26-28-22-9-4-3-8-21(22)24(30-26)18-10-11-18/h3-9,12-15,18H,10-11H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyBDBSUESQZJUWIW-UHFFFAOYSA-N
XLogP6.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
The IUPAC name of 4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide (CID 44565643) is 4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide is Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc(C3CC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
The InChIKey is BDBSUESQZJUWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-16-6-5-7-17(2)23(16)29-25(31)19-12-14-20(15-13-19)27-26-28-22-9-4-3-8-21(22)24(30-26)18-10-11-18/h3-9,12-15,18H,10-11H2,1-2H3,(H,29,31)(H,27,28,30).
What are the key properties of 4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide has a molecular weight of 408.51 g/mol, XLogP of 6.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylquinazolin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide is sourced from PubChem (CID 44565643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).