2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol

C20H27N3O — CID 5309512

IUPAC2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol
SMILESCc1cc(N2CCN(C3CCCCC3)CC2)nc2cccc(O)c12
InChIInChI=1S/C20H27N3O/c1-15-14-19(21-17-8-5-9-18(24)20(15)17)23-12-10-22(11-13-23)16-6-3-2-4-7-16/h5,8-9,14,16,24H,2-4,6-7,10-13H2,1H3
InChIKeyKZNQZEDBPCRWRJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.70
Rot. Bonds2

About 2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol

2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol (PubChem CID 5309512) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol
PubChem CID5309512
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol
SMILESCc1cc(N2CCN(C3CCCCC3)CC2)nc2cccc(O)c12
InChIInChI=1S/C20H27N3O/c1-15-14-19(21-17-8-5-9-18(24)20(15)17)23-12-10-22(11-13-23)16-6-3-2-4-7-16/h5,8-9,14,16,24H,2-4,6-7,10-13H2,1H3
InChIKeyKZNQZEDBPCRWRJ-UHFFFAOYSA-N
XLogP3.70
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol (CID 5309512) is 2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol is Cc1cc(N2CCN(C3CCCCC3)CC2)nc2cccc(O)c12.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol?
The InChIKey is KZNQZEDBPCRWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-14-19(21-17-8-5-9-18(24)20(15)17)23-12-10-22(11-13-23)16-6-3-2-4-7-16/h5,8-9,14,16,24H,2-4,6-7,10-13H2,1H3.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol?
2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol has a molecular weight of 325.46 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol is sourced from PubChem (CID 5309512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).