3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine

C28H39N7 — CID 58801903

About 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine

3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine (PubChem CID 58801903) has the molecular formula C28H39N7 and a molecular weight of 473.67 g/mol. Its IUPAC name is 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine.

Molecular Properties

• Compound Name: 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine
• PubChem CID: 58801903
• Molecular Formula: C28H39N7
• Molecular Weight: 473.67 g/mol
• Exact Mass: 473.33
• IUPAC Name: 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine
• SMILES: CCCN(CCC)CCCc1ccc2cc(CN(Cc3ncc[nH]3)Cc3nccn3C)ccc2n1
• InChI: InChI=1S/C28H39N7/c1-4-15-34(16-5-2)17-6-7-25-10-9-24-19-23(8-11-26(24)32-25)20-35(21-27-29-12-13-30-27)22-28-31-14-18-33(28)3/h8-14,18-19H,4-7,15-17,20-22H2,1-3H3,(H,29,30)
• InChIKey: NLXJZJBYFYSTOP-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 65.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.67
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine?

The IUPAC name of 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine (CID 58801903) is 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine.

What is the SMILES notation for 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine?

The canonical SMILES for 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCc1ccc2cc(CN(Cc3ncc[nH]3)Cc3nccn3C)ccc2n1.

What is the InChIKey of 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine?

The InChIKey is NLXJZJBYFYSTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N7/c1-4-15-34(16-5-2)17-6-7-25-10-9-24-19-23(8-11-26(24)32-25)20-35(21-27-29-12-13-30-27)22-28-31-14-18-33(28)3/h8-14,18-19H,4-7,15-17,20-22H2,1-3H3,(H,29,30).

What are the key properties of 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine?

3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine has a molecular weight of 473.67 g/mol, XLogP of 4.95, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 58801903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).