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

C28H39N7 — CID 58801903

IUPAC3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCc1ccc2cc(CN(Cc3ncc[nH]3)Cc3nccn3C)ccc2n1
InChIInChI=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)
InChIKeyNLXJZJBYFYSTOP-UHFFFAOYSA-N
MW473.67 g/mol
LogP4.95
Rot. Bonds14

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 Name3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine
PubChem CID58801903
Molecular FormulaC28H39N7
Molecular Weight473.67 g/mol
Exact Mass473.33
IUPAC Name3-[6-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCc1ccc2cc(CN(Cc3ncc[nH]3)Cc3nccn3C)ccc2n1
InChIInChI=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)
InChIKeyNLXJZJBYFYSTOP-UHFFFAOYSA-N
XLogP4.95
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.67
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).