(5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone

C21H20ClN3O2 — CID 56742059

IUPAC(5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone
SMILESCc1ccc2cc(C3(O)CCN(C(=O)c4cncc(Cl)c4)CC3)ccc2n1
InChIInChI=1S/C21H20ClN3O2/c1-14-2-3-15-10-17(4-5-19(15)24-14)21(27)6-8-25(9-7-21)20(26)16-11-18(22)13-23-12-16/h2-5,10-13,27H,6-9H2,1H3
InChIKeyXXWJQOFHGLYMBV-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.72
Rot. Bonds2

About (5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone

(5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone (PubChem CID 56742059) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone
PubChem CID56742059
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name(5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone
SMILESCc1ccc2cc(C3(O)CCN(C(=O)c4cncc(Cl)c4)CC3)ccc2n1
InChIInChI=1S/C21H20ClN3O2/c1-14-2-3-15-10-17(4-5-19(15)24-14)21(27)6-8-25(9-7-21)20(26)16-11-18(22)13-23-12-16/h2-5,10-13,27H,6-9H2,1H3
InChIKeyXXWJQOFHGLYMBV-UHFFFAOYSA-N
XLogP3.72
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone (CID 56742059) is (5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone is Cc1ccc2cc(C3(O)CCN(C(=O)c4cncc(Cl)c4)CC3)ccc2n1.
What is the InChIKey of (5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone?
The InChIKey is XXWJQOFHGLYMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-2-3-15-10-17(4-5-19(15)24-14)21(27)6-8-25(9-7-21)20(26)16-11-18(22)13-23-12-16/h2-5,10-13,27H,6-9H2,1H3.
What are the key properties of (5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone?
(5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone has a molecular weight of 381.86 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl)-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56742059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).