1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride

C19H27Cl3N2O3 — CID 22468741

About 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride

1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride (PubChem CID 22468741) has the molecular formula C19H27Cl3N2O3 and a molecular weight of 437.80 g/mol. Its IUPAC name is 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride.

Molecular Properties

• Compound Name: 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride
• PubChem CID: 22468741
• Molecular Formula: C19H27Cl3N2O3
• Molecular Weight: 437.80 g/mol
• Exact Mass: 436.11
• IUPAC Name: 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride
• SMILES: COc1ccc2ncc(Cl)c(C(O)CCC3(CO)CCNCC3)c2c1.Cl.Cl
• InChI: InChI=1S/C19H25ClN2O3.2ClH/c1-25-13-2-3-16-14(10-13)18(15(20)11-22-16)17(24)4-5-19(12-23)6-8-21-9-7-19;;/h2-3,10-11,17,21,23-24H,4-9,12H2,1H3;2*1H
• InChIKey: VTWUYGORHLKNFN-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 74.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.80
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride?

The IUPAC name of 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride (CID 22468741) is 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride.

What is the SMILES notation for 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride?

The canonical SMILES for 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride is COc1ccc2ncc(Cl)c(C(O)CCC3(CO)CCNCC3)c2c1.Cl.Cl.

What is the InChIKey of 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride?

The InChIKey is VTWUYGORHLKNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3.2ClH/c1-25-13-2-3-16-14(10-13)18(15(20)11-22-16)17(24)4-5-19(12-23)6-8-21-9-7-19;;/h2-3,10-11,17,21,23-24H,4-9,12H2,1H3;2*1H.

What are the key properties of 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride?

1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride has a molecular weight of 437.80 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-6-methoxyquinolin-4-yl)-3-[4-(hydroxymethyl)piperidin-4-yl]propan-1-ol;dihydrochloride is sourced from PubChem (CID 22468741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).