2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

C24H27N5O2 — CID 47025350

IUPAC2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C24H27N5O2/c1-16-22(17(2)29(26-16)14-18-10-6-5-7-11-18)23-27(4)24(31)19-12-8-9-13-20(19)28(23)15-21(30)25-3/h5-13,23H,14-15H2,1-4H3,(H,25,30)
InChIKeyRSXAWPXDCYRYKW-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.89
Rot. Bonds5

About 2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (PubChem CID 47025350) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
PubChem CID47025350
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C24H27N5O2/c1-16-22(17(2)29(26-16)14-18-10-6-5-7-11-18)23-27(4)24(31)19-12-8-9-13-20(19)28(23)15-21(30)25-3/h5-13,23H,14-15H2,1-4H3,(H,25,30)
InChIKeyRSXAWPXDCYRYKW-UHFFFAOYSA-N
XLogP2.89
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (CID 47025350) is 2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is CNC(=O)CN1c2ccccc2C(=O)N(C)C1c1c(C)nn(Cc2ccccc2)c1C.
What is the InChIKey of 2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The InChIKey is RSXAWPXDCYRYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-22(17(2)29(26-16)14-18-10-6-5-7-11-18)23-27(4)24(31)19-12-8-9-13-20(19)28(23)15-21(30)25-3/h5-13,23H,14-15H2,1-4H3,(H,25,30).
What are the key properties of 2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide has a molecular weight of 417.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 47025350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).