6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile

C18H20ClN3O2 — CID 154993581

IUPAC6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESCCC1(OC)CCN(c2c(C#N)c(=O)[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H20ClN3O2/c1-3-18(24-2)6-8-22(9-7-18)16-13-10-12(19)4-5-15(13)21-17(23)14(16)11-20/h4-5,10H,3,6-9H2,1-2H3,(H,21,23)
InChIKeyOOJANEJSUDHODJ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.45
Rot. Bonds3

About 6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile

6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 154993581) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID154993581
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
SMILESCCC1(OC)CCN(c2c(C#N)c(=O)[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H20ClN3O2/c1-3-18(24-2)6-8-22(9-7-18)16-13-10-12(19)4-5-15(13)21-17(23)14(16)11-20/h4-5,10H,3,6-9H2,1-2H3,(H,21,23)
InChIKeyOOJANEJSUDHODJ-UHFFFAOYSA-N
XLogP3.45
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile (CID 154993581) is 6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile is CCC1(OC)CCN(c2c(C#N)c(=O)[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is OOJANEJSUDHODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-18(24-2)6-8-22(9-7-18)16-13-10-12(19)4-5-15(13)21-17(23)14(16)11-20/h4-5,10H,3,6-9H2,1-2H3,(H,21,23).
What are the key properties of 6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile?
6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 345.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 154993581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).