2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride

C17H20ClNO — CID 161168794

IUPAC2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride
SMILESCc1nc2c(cc1-c1ccccc1)OCCCCC2.Cl
InChIInChI=1S/C17H19NO.ClH/c1-13-15(14-8-4-2-5-9-14)12-17-16(18-13)10-6-3-7-11-19-17;/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3;1H
InChIKeyUQXFOLIYMREIIF-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.58
Rot. Bonds1

About 2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride

2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride (PubChem CID 161168794) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride
PubChem CID161168794
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride
SMILESCc1nc2c(cc1-c1ccccc1)OCCCCC2.Cl
InChIInChI=1S/C17H19NO.ClH/c1-13-15(14-8-4-2-5-9-14)12-17-16(18-13)10-6-3-7-11-19-17;/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3;1H
InChIKeyUQXFOLIYMREIIF-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride?
The IUPAC name of 2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride (CID 161168794) is 2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride.
What is the SMILES notation for 2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride?
The canonical SMILES for 2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride is Cc1nc2c(cc1-c1ccccc1)OCCCCC2.Cl.
What is the InChIKey of 2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride?
The InChIKey is UQXFOLIYMREIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-13-15(14-8-4-2-5-9-14)12-17-16(18-13)10-6-3-7-11-19-17;/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3;1H.
What are the key properties of 2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride?
2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-7,8,9,10-tetrahydro-6H-oxocino[3,2-b]pyridine;hydrochloride is sourced from PubChem (CID 161168794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).