3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine

C22H24N4S — CID 46962088

IUPAC3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2ccc3ncccc3c2)s1
InChIInChI=1S/C22H24N4S/c1-18-5-7-21(27-18)16-26(12-3-11-25-13-10-23-17-25)15-19-6-8-22-20(14-19)4-2-9-24-22/h2,4-10,13-14,17H,3,11-12,15-16H2,1H3
InChIKeyZICZQMXNQXRUEP-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.89
Rot. Bonds8

About 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine

3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine (PubChem CID 46962088) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine
PubChem CID46962088
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2ccc3ncccc3c2)s1
InChIInChI=1S/C22H24N4S/c1-18-5-7-21(27-18)16-26(12-3-11-25-13-10-23-17-25)15-19-6-8-22-20(14-19)4-2-9-24-22/h2,4-10,13-14,17H,3,11-12,15-16H2,1H3
InChIKeyZICZQMXNQXRUEP-UHFFFAOYSA-N
XLogP4.89
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine (CID 46962088) is 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2ccc3ncccc3c2)s1.
What is the InChIKey of 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine?
The InChIKey is ZICZQMXNQXRUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c1-18-5-7-21(27-18)16-26(12-3-11-25-13-10-23-17-25)15-19-6-8-22-20(14-19)4-2-9-24-22/h2,4-10,13-14,17H,3,11-12,15-16H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine?
3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine has a molecular weight of 376.53 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 46962088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).