2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol

C22H31N3O2 — CID 95871936

IUPAC2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
SMILESCOc1cccc2c(C)cc(N3CCN(CC=C(C)C)[C@H](CCO)C3)nc12
InChIInChI=1S/C22H31N3O2/c1-16(2)8-10-24-11-12-25(15-18(24)9-13-26)21-14-17(3)19-6-5-7-20(27-4)22(19)23-21/h5-8,14,18,26H,9-13,15H2,1-4H3/t18-/m1/s1
InChIKeyLJYAKKVZLMJTNR-GOSISDBHSA-N
MW369.51 g/mol
LogP3.39
Rot. Bonds6

About 2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol

2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol (PubChem CID 95871936) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
PubChem CID95871936
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
SMILESCOc1cccc2c(C)cc(N3CCN(CC=C(C)C)[C@H](CCO)C3)nc12
InChIInChI=1S/C22H31N3O2/c1-16(2)8-10-24-11-12-25(15-18(24)9-13-26)21-14-17(3)19-6-5-7-20(27-4)22(19)23-21/h5-8,14,18,26H,9-13,15H2,1-4H3/t18-/m1/s1
InChIKeyLJYAKKVZLMJTNR-GOSISDBHSA-N
XLogP3.39
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol 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 2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol (CID 95871936) is 2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol is COc1cccc2c(C)cc(N3CCN(CC=C(C)C)[C@H](CCO)C3)nc12.
What is the InChIKey of 2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
The InChIKey is LJYAKKVZLMJTNR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-16(2)8-10-24-11-12-25(15-18(24)9-13-26)21-14-17(3)19-6-5-7-20(27-4)22(19)23-21/h5-8,14,18,26H,9-13,15H2,1-4H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol has a molecular weight of 369.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(8-methoxy-4-methylquinolin-2-yl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 95871936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).