1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone

C18H24ClN3O3 — CID 175990280

IUPAC1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone
SMILESCOC1(C2=Cc3c(Cl)nc(C)c(O)c3N(C)C2)CCN(C(C)=O)CC1
InChIInChI=1S/C18H24ClN3O3/c1-11-16(24)15-14(17(19)20-11)9-13(10-21(15)3)18(25-4)5-7-22(8-6-18)12(2)23/h9,24H,5-8,10H2,1-4H3
InChIKeyPUBDSXAEMSDFJV-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.61
Rot. Bonds2

About 1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone

1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone (PubChem CID 175990280) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone
PubChem CID175990280
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone
SMILESCOC1(C2=Cc3c(Cl)nc(C)c(O)c3N(C)C2)CCN(C(C)=O)CC1
InChIInChI=1S/C18H24ClN3O3/c1-11-16(24)15-14(17(19)20-11)9-13(10-21(15)3)18(25-4)5-7-22(8-6-18)12(2)23/h9,24H,5-8,10H2,1-4H3
InChIKeyPUBDSXAEMSDFJV-UHFFFAOYSA-N
XLogP2.61
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone (CID 175990280) is 1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone is COC1(C2=Cc3c(Cl)nc(C)c(O)c3N(C)C2)CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone?
The InChIKey is PUBDSXAEMSDFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-11-16(24)15-14(17(19)20-11)9-13(10-21(15)3)18(25-4)5-7-22(8-6-18)12(2)23/h9,24H,5-8,10H2,1-4H3.
What are the key properties of 1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone?
1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone has a molecular weight of 365.86 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone is sourced from PubChem (CID 175990280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).