1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol

C23H28N2O5 — CID 162651802

IUPAC1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol
SMILESCOc1cc2nc(-c3ccco3)cc(OCCCN3CCC(O)CC3)c2cc1OC
InChIInChI=1S/C23H28N2O5/c1-27-22-13-17-18(14-23(22)28-2)24-19(20-5-3-11-29-20)15-21(17)30-12-4-8-25-9-6-16(26)7-10-25/h3,5,11,13-16,26H,4,6-10,12H2,1-2H3
InChIKeyYMYPMXXZKWMHEN-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.74
Rot. Bonds8

About 1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol

1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol (PubChem CID 162651802) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol
PubChem CID162651802
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol
SMILESCOc1cc2nc(-c3ccco3)cc(OCCCN3CCC(O)CC3)c2cc1OC
InChIInChI=1S/C23H28N2O5/c1-27-22-13-17-18(14-23(22)28-2)24-19(20-5-3-11-29-20)15-21(17)30-12-4-8-25-9-6-16(26)7-10-25/h3,5,11,13-16,26H,4,6-10,12H2,1-2H3
InChIKeyYMYPMXXZKWMHEN-UHFFFAOYSA-N
XLogP3.74
TPSA77.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol?
The IUPAC name of 1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol (CID 162651802) is 1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol is COc1cc2nc(-c3ccco3)cc(OCCCN3CCC(O)CC3)c2cc1OC.
What is the InChIKey of 1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol?
The InChIKey is YMYPMXXZKWMHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-27-22-13-17-18(14-23(22)28-2)24-19(20-5-3-11-29-20)15-21(17)30-12-4-8-25-9-6-16(26)7-10-25/h3,5,11,13-16,26H,4,6-10,12H2,1-2H3.
What are the key properties of 1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol?
1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol has a molecular weight of 412.49 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol is sourced from PubChem (CID 162651802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).