5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one

C23H26ClN5O — CID 73298569

About 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one

5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one (PubChem CID 73298569) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one.

Molecular Properties

• Compound Name: 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
• PubChem CID: 73298569
• Molecular Formula: C23H26ClN5O
• Molecular Weight: 423.95 g/mol
• Exact Mass: 423.18
• IUPAC Name: 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
• SMILES: CCc1ccc2nc(NC3NC(=O)C(Cc4ccc(Cl)cc4)C(C)N3)nc(C)c2c1
• InChI: InChI=1S/C23H26ClN5O/c1-4-15-7-10-20-18(11-15)13(2)25-22(27-20)29-23-26-14(3)19(21(30)28-23)12-16-5-8-17(24)9-6-16/h5-11,14,19,23,26H,4,12H2,1-3H3,(H,28,30)(H,25,27,29)
• InChIKey: KGTDSCSGFWJECR-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 78.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.95
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one?

The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one (CID 73298569) is 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one.

What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one?

The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one is CCc1ccc2nc(NC3NC(=O)C(Cc4ccc(Cl)cc4)C(C)N3)nc(C)c2c1.

What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one?

The InChIKey is KGTDSCSGFWJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c1-4-15-7-10-20-18(11-15)13(2)25-22(27-20)29-23-26-14(3)19(21(30)28-23)12-16-5-8-17(24)9-6-16/h5-11,14,19,23,26H,4,12H2,1-3H3,(H,28,30)(H,25,27,29).

What are the key properties of 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one?

5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one has a molecular weight of 423.95 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenyl)methyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 73298569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).