5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

C24H24N4O — CID 164623532

IUPAC5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCC2)cc(Cn2cnc(-c3ccccc3)c2)c2cccnc12
InChIInChI=1S/C24H24N4O/c29-24-20(15-27-11-4-5-12-27)13-19(21-9-6-10-25-23(21)24)14-28-16-22(26-17-28)18-7-2-1-3-8-18/h1-3,6-10,13,16-17,29H,4-5,11-12,14-15H2
InChIKeyUULJYNCJMNCHQK-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.45
Rot. Bonds5

About 5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (PubChem CID 164623532) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
PubChem CID164623532
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCC2)cc(Cn2cnc(-c3ccccc3)c2)c2cccnc12
InChIInChI=1S/C24H24N4O/c29-24-20(15-27-11-4-5-12-27)13-19(21-9-6-10-25-23(21)24)14-28-16-22(26-17-28)18-7-2-1-3-8-18/h1-3,6-10,13,16-17,29H,4-5,11-12,14-15H2
InChIKeyUULJYNCJMNCHQK-UHFFFAOYSA-N
XLogP4.45
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (CID 164623532) is 5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is Oc1c(CN2CCCC2)cc(Cn2cnc(-c3ccccc3)c2)c2cccnc12.
What is the InChIKey of 5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The InChIKey is UULJYNCJMNCHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24-20(15-27-11-4-5-12-27)13-19(21-9-6-10-25-23(21)24)14-28-16-22(26-17-28)18-7-2-1-3-8-18/h1-3,6-10,13,16-17,29H,4-5,11-12,14-15H2.
What are the key properties of 5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol has a molecular weight of 384.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 164623532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).