8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline

C24H24N4 — CID 50971873

IUPAC8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline
SMILESCN1CCC(n2cnc(-c3ccccc3)c2-c2cccc3cccnc23)CC1
InChIInChI=1S/C24H24N4/c1-27-15-12-20(13-16-27)28-17-26-23(19-7-3-2-4-8-19)24(28)21-11-5-9-18-10-6-14-25-22(18)21/h2-11,14,17,20H,12-13,15-16H2,1H3
InChIKeyATWGCRVEFDMWBP-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.03
Rot. Bonds3

About 8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline

8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline (PubChem CID 50971873) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline.

Molecular Properties

Compound Name8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline
PubChem CID50971873
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline
SMILESCN1CCC(n2cnc(-c3ccccc3)c2-c2cccc3cccnc23)CC1
InChIInChI=1S/C24H24N4/c1-27-15-12-20(13-16-27)28-17-26-23(19-7-3-2-4-8-19)24(28)21-11-5-9-18-10-6-14-25-22(18)21/h2-11,14,17,20H,12-13,15-16H2,1H3
InChIKeyATWGCRVEFDMWBP-UHFFFAOYSA-N
XLogP5.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline?
The IUPAC name of 8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline (CID 50971873) is 8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline.
What is the SMILES notation for 8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline?
The canonical SMILES for 8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline is CN1CCC(n2cnc(-c3ccccc3)c2-c2cccc3cccnc23)CC1.
What is the InChIKey of 8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline?
The InChIKey is ATWGCRVEFDMWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-27-15-12-20(13-16-27)28-17-26-23(19-7-3-2-4-8-19)24(28)21-11-5-9-18-10-6-14-25-22(18)21/h2-11,14,17,20H,12-13,15-16H2,1H3.
What are the key properties of 8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline?
8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline has a molecular weight of 368.48 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline is sourced from PubChem (CID 50971873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).