1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea

C18H20N8O — CID 72859388

About 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea

1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea (PubChem CID 72859388) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea
• PubChem CID: 72859388
• Molecular Formula: C18H20N8O
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.18
• IUPAC Name: 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea
• SMILES: Cc1nc(CNC(=O)Nc2cccc(-n3cnnn3)c2)nc2c1CCCC2
• InChI: InChI=1S/C18H20N8O/c1-12-15-7-2-3-8-16(15)23-17(21-12)10-19-18(27)22-13-5-4-6-14(9-13)26-11-20-24-25-26/h4-6,9,11H,2-3,7-8,10H2,1H3,(H2,19,22,27)
• InChIKey: NONWCWRQALHMTQ-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea?

The IUPAC name of 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea (CID 72859388) is 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea.

What is the SMILES notation for 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea?

The canonical SMILES for 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea is Cc1nc(CNC(=O)Nc2cccc(-n3cnnn3)c2)nc2c1CCCC2.

What is the InChIKey of 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea?

The InChIKey is NONWCWRQALHMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-12-15-7-2-3-8-16(15)23-17(21-12)10-19-18(27)22-13-5-4-6-14(9-13)26-11-20-24-25-26/h4-6,9,11H,2-3,7-8,10H2,1H3,(H2,19,22,27).

What are the key properties of 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea?

1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea has a molecular weight of 364.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 72859388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).