5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol

C20H24N4O — CID 4558220

IUPAC5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol
SMILESCC1CCN(Cc2cc(Cn3ccnc3)c3cccnc3c2O)CC1
InChIInChI=1S/C20H24N4O/c1-15-4-8-23(9-5-15)13-17-11-16(12-24-10-7-21-14-24)18-3-2-6-22-19(18)20(17)25/h2-3,6-7,10-11,14-15,25H,4-5,8-9,12-13H2,1H3
InChIKeySPURNSUKVFMRLV-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.42
Rot. Bonds4

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

5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol (PubChem CID 4558220) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol
PubChem CID4558220
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol
SMILESCC1CCN(Cc2cc(Cn3ccnc3)c3cccnc3c2O)CC1
InChIInChI=1S/C20H24N4O/c1-15-4-8-23(9-5-15)13-17-11-16(12-24-10-7-21-14-24)18-3-2-6-22-19(18)20(17)25/h2-3,6-7,10-11,14-15,25H,4-5,8-9,12-13H2,1H3
InChIKeySPURNSUKVFMRLV-UHFFFAOYSA-N
XLogP3.42
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol (CID 4558220) is 5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol is CC1CCN(Cc2cc(Cn3ccnc3)c3cccnc3c2O)CC1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol?
The InChIKey is SPURNSUKVFMRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-4-8-23(9-5-15)13-17-11-16(12-24-10-7-21-14-24)18-3-2-6-22-19(18)20(17)25/h2-3,6-7,10-11,14-15,25H,4-5,8-9,12-13H2,1H3.
What are the key properties of 5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol?
5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol has a molecular weight of 336.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-7-[(4-methylpiperidin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 4558220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).