1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one

C22H26N4O2 — CID 56752842

IUPAC1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
SMILESCc1ccc2cc(C3(O)CCN(C(=O)CCn4ccnc4C)CC3)ccc2n1
InChIInChI=1S/C22H26N4O2/c1-16-3-4-18-15-19(5-6-20(18)24-16)22(28)8-12-26(13-9-22)21(27)7-11-25-14-10-23-17(25)2/h3-6,10,14-15,28H,7-9,11-13H2,1-2H3
InChIKeyWNCBKZLVYQPLOS-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.95
Rot. Bonds4

About 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one

1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one (PubChem CID 56752842) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
PubChem CID56752842
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
SMILESCc1ccc2cc(C3(O)CCN(C(=O)CCn4ccnc4C)CC3)ccc2n1
InChIInChI=1S/C22H26N4O2/c1-16-3-4-18-15-19(5-6-20(18)24-16)22(28)8-12-26(13-9-22)21(27)7-11-25-14-10-23-17(25)2/h3-6,10,14-15,28H,7-9,11-13H2,1-2H3
InChIKeyWNCBKZLVYQPLOS-UHFFFAOYSA-N
XLogP2.95
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one (CID 56752842) is 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one is Cc1ccc2cc(C3(O)CCN(C(=O)CCn4ccnc4C)CC3)ccc2n1.
What is the InChIKey of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one?
The InChIKey is WNCBKZLVYQPLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-3-4-18-15-19(5-6-20(18)24-16)22(28)8-12-26(13-9-22)21(27)7-11-25-14-10-23-17(25)2/h3-6,10,14-15,28H,7-9,11-13H2,1-2H3.
What are the key properties of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one?
1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one has a molecular weight of 378.48 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 56752842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).