(6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

C23H31N3O3 — CID 24817760

IUPAC(6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCCc1ccc2nc(C)cc(C(=O)N3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)c2c1
InChIInChI=1S/C23H31N3O3/c1-3-16-4-5-20-18(13-16)19(12-15(2)24-20)23(29)26-11-8-21(22(28)14-26)25-9-6-17(27)7-10-25/h4-5,12-13,17,21-22,27-28H,3,6-11,14H2,1-2H3/t21-,22-/m1/s1
InChIKeyFGKOLXOUFCNRIO-FGZHOGPDSA-N
MW397.52 g/mol
LogP2.14
Rot. Bonds3

About (6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

(6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 24817760) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is (6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID24817760
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name(6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCCc1ccc2nc(C)cc(C(=O)N3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)c2c1
InChIInChI=1S/C23H31N3O3/c1-3-16-4-5-20-18(13-16)19(12-15(2)24-20)23(29)26-11-8-21(22(28)14-26)25-9-6-17(27)7-10-25/h4-5,12-13,17,21-22,27-28H,3,6-11,14H2,1-2H3/t21-,22-/m1/s1
InChIKeyFGKOLXOUFCNRIO-FGZHOGPDSA-N
XLogP2.14
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (CID 24817760) is (6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is CCc1ccc2nc(C)cc(C(=O)N3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)c2c1.
What is the InChIKey of (6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is FGKOLXOUFCNRIO-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-16-4-5-20-18(13-16)19(12-15(2)24-20)23(29)26-11-8-21(22(28)14-26)25-9-6-17(27)7-10-25/h4-5,12-13,17,21-22,27-28H,3,6-11,14H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of (6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
(6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 397.52 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2-methylquinolin-4-yl)-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24817760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).