3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide

C24H25Cl2N3O3 — CID 44535558

IUPAC3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)CC3)c2c1
InChIInChI=1S/C24H25Cl2N3O3/c1-32-17-3-5-22-19(13-17)18(6-9-27-22)23(30)14-29-10-7-16(8-11-29)28-24(31)15-2-4-20(25)21(26)12-15/h2-6,9,12-13,16,23,30H,7-8,10-11,14H2,1H3,(H,28,31)/t23-/m0/s1
InChIKeyZIAFPPWSTNBKDA-QHCPKHFHSA-N
MW474.39 g/mol
LogP4.48
Rot. Bonds6

About 3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide

3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide (PubChem CID 44535558) has the molecular formula C24H25Cl2N3O3 and a molecular weight of 474.39 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide
PubChem CID44535558
Molecular FormulaC24H25Cl2N3O3
Molecular Weight474.39 g/mol
Exact Mass473.13
IUPAC Name3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)CC3)c2c1
InChIInChI=1S/C24H25Cl2N3O3/c1-32-17-3-5-22-19(13-17)18(6-9-27-22)23(30)14-29-10-7-16(8-11-29)28-24(31)15-2-4-20(25)21(26)12-15/h2-6,9,12-13,16,23,30H,7-8,10-11,14H2,1H3,(H,28,31)/t23-/m0/s1
InChIKeyZIAFPPWSTNBKDA-QHCPKHFHSA-N
XLogP4.48
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide (CID 44535558) is 3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide is COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)CC3)c2c1.
What is the InChIKey of 3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide?
The InChIKey is ZIAFPPWSTNBKDA-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3/c1-32-17-3-5-22-19(13-17)18(6-9-27-22)23(30)14-29-10-7-16(8-11-29)28-24(31)15-2-4-20(25)21(26)12-15/h2-6,9,12-13,16,23,30H,7-8,10-11,14H2,1H3,(H,28,31)/t23-/m0/s1.
What are the key properties of 3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide?
3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide has a molecular weight of 474.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 44535558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).