1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol

C23H26ClN3O — CID 90669144

IUPAC1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCc1ccc2nc(Nc3ccc(Cl)cc3)cc(C(O)CC3CCCCN3)c2c1
InChIInChI=1S/C23H26ClN3O/c1-15-5-10-21-19(12-15)20(22(28)13-18-4-2-3-11-25-18)14-23(27-21)26-17-8-6-16(24)7-9-17/h5-10,12,14,18,22,25,28H,2-4,11,13H2,1H3,(H,26,27)
InChIKeyVMXGWAGHROAYJI-UHFFFAOYSA-N
MW395.93 g/mol
LogP5.51
Rot. Bonds5

About 1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol

1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669144) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669144
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCc1ccc2nc(Nc3ccc(Cl)cc3)cc(C(O)CC3CCCCN3)c2c1
InChIInChI=1S/C23H26ClN3O/c1-15-5-10-21-19(12-15)20(22(28)13-18-4-2-3-11-25-18)14-23(27-21)26-17-8-6-16(24)7-9-17/h5-10,12,14,18,22,25,28H,2-4,11,13H2,1H3,(H,26,27)
InChIKeyVMXGWAGHROAYJI-UHFFFAOYSA-N
XLogP5.51
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669144) is 1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol is Cc1ccc2nc(Nc3ccc(Cl)cc3)cc(C(O)CC3CCCCN3)c2c1.
What is the InChIKey of 1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is VMXGWAGHROAYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-15-5-10-21-19(12-15)20(22(28)13-18-4-2-3-11-25-18)14-23(27-21)26-17-8-6-16(24)7-9-17/h5-10,12,14,18,22,25,28H,2-4,11,13H2,1H3,(H,26,27).
What are the key properties of 1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol?
1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 395.93 g/mol, XLogP of 5.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).