3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline

C20H24N4O — CID 56897523

IUPAC3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline
SMILESCOCCN1CCC(c2nccn2-c2cnc3ccccc3c2)CC1
InChIInChI=1S/C20H24N4O/c1-25-13-12-23-9-6-16(7-10-23)20-21-8-11-24(20)18-14-17-4-2-3-5-19(17)22-15-18/h2-5,8,11,14-16H,6-7,9-10,12-13H2,1H3
InChIKeyMFIVPRSHKFMOOK-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.25
Rot. Bonds5

About 3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline

3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline (PubChem CID 56897523) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline.

Molecular Properties

Compound Name3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline
PubChem CID56897523
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline
SMILESCOCCN1CCC(c2nccn2-c2cnc3ccccc3c2)CC1
InChIInChI=1S/C20H24N4O/c1-25-13-12-23-9-6-16(7-10-23)20-21-8-11-24(20)18-14-17-4-2-3-5-19(17)22-15-18/h2-5,8,11,14-16H,6-7,9-10,12-13H2,1H3
InChIKeyMFIVPRSHKFMOOK-UHFFFAOYSA-N
XLogP3.25
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline?
The IUPAC name of 3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline (CID 56897523) is 3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline.
What is the SMILES notation for 3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline?
The canonical SMILES for 3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline is COCCN1CCC(c2nccn2-c2cnc3ccccc3c2)CC1.
What is the InChIKey of 3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline?
The InChIKey is MFIVPRSHKFMOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-25-13-12-23-9-6-16(7-10-23)20-21-8-11-24(20)18-14-17-4-2-3-5-19(17)22-15-18/h2-5,8,11,14-16H,6-7,9-10,12-13H2,1H3.
What are the key properties of 3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline?
3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline has a molecular weight of 336.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline is sourced from PubChem (CID 56897523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).