3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea

C23H30N6O2 — CID 51686396

About 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea

3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 51686396) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

• Compound Name: 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
• PubChem CID: 51686396
• Molecular Formula: C23H30N6O2
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.24
• IUPAC Name: 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
• SMILES: Cc1ccc2c(c1)cc(CN(C[C@H]1CCCO1)C(=O)NC1CCCCC1)c1nnnn12
• InChI: InChI=1S/C23H30N6O2/c1-16-9-10-21-17(12-16)13-18(22-25-26-27-29(21)22)14-28(15-20-8-5-11-31-20)23(30)24-19-6-3-2-4-7-19/h9-10,12-13,19-20H,2-8,11,14-15H2,1H3,(H,24,30)/t20-/m1/s1
• InChIKey: VWSQZUJOTSQXMH-HXUWFJFHSA-N
• XLogP: 3.61
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea?

The IUPAC name of 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea (CID 51686396) is 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea.

What is the SMILES notation for 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea?

The canonical SMILES for 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea is Cc1ccc2c(c1)cc(CN(C[C@H]1CCCO1)C(=O)NC1CCCCC1)c1nnnn12.

What is the InChIKey of 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea?

The InChIKey is VWSQZUJOTSQXMH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-16-9-10-21-17(12-16)13-18(22-25-26-27-29(21)22)14-28(15-20-8-5-11-31-20)23(30)24-19-6-3-2-4-7-19/h9-10,12-13,19-20H,2-8,11,14-15H2,1H3,(H,24,30)/t20-/m1/s1.

What are the key properties of 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea?

3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 422.53 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 51686396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).