2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C25H24N4O2 — CID 56685509

IUPAC2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(=O)nc(NCc2ccccc2)c2ccccc21
InChIInChI=1S/C25H24N4O2/c1-17-9-8-10-18(2)23(17)27-22(30)16-29-21-14-7-6-13-20(21)24(28-25(29)31)26-15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,27,30)(H,26,28,31)
InChIKeyHPZHYAYDZUDLDG-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.26
Rot. Bonds6

About 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 56685509) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID56685509
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(=O)nc(NCc2ccccc2)c2ccccc21
InChIInChI=1S/C25H24N4O2/c1-17-9-8-10-18(2)23(17)27-22(30)16-29-21-14-7-6-13-20(21)24(28-25(29)31)26-15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,27,30)(H,26,28,31)
InChIKeyHPZHYAYDZUDLDG-UHFFFAOYSA-N
XLogP4.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 56685509) is 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)Cn1c(=O)nc(NCc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is HPZHYAYDZUDLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17-9-8-10-18(2)23(17)27-22(30)16-29-21-14-7-6-13-20(21)24(28-25(29)31)26-15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,27,30)(H,26,28,31).
What are the key properties of 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 56685509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).