1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea

C22H29N7O2 — CID 68884665

About 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea

1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea (PubChem CID 68884665) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea.

Molecular Properties

• Compound Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
• PubChem CID: 68884665
• Molecular Formula: C22H29N7O2
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.24
• IUPAC Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
• SMILES: Cc1noc(C)c1NC(=O)NC1CCC(Nc2nc(N(C)C)c3ccccc3n2)CC1
• InChI: InChI=1S/C22H29N7O2/c1-13-19(14(2)31-28-13)26-22(30)24-16-11-9-15(10-12-16)23-21-25-18-8-6-5-7-17(18)20(27-21)29(3)4/h5-8,15-16H,9-12H2,1-4H3,(H,23,25,27)(H2,24,26,30)
• InChIKey: SNIWTTGZZLYQQS-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 108.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?

The IUPAC name of 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea (CID 68884665) is 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea.

What is the SMILES notation for 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?

The canonical SMILES for 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea is Cc1noc(C)c1NC(=O)NC1CCC(Nc2nc(N(C)C)c3ccccc3n2)CC1.

What is the InChIKey of 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?

The InChIKey is SNIWTTGZZLYQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-13-19(14(2)31-28-13)26-22(30)24-16-11-9-15(10-12-16)23-21-25-18-8-6-5-7-17(18)20(27-21)29(3)4/h5-8,15-16H,9-12H2,1-4H3,(H,23,25,27)(H2,24,26,30).

What are the key properties of 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?

1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea has a molecular weight of 423.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 68884665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).