2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline

C16H23NO2 — CID 62387152

IUPAC2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cccc(OCC3CCOCC3)c2N1
InChIInChI=1S/C16H23NO2/c1-12-5-6-14-3-2-4-15(16(14)17-12)19-11-13-7-9-18-10-8-13/h2-4,12-13,17H,5-11H2,1H3
InChIKeyHYTNRWDHHGNSMW-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.24
Rot. Bonds3

About 2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline

2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 62387152) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID62387152
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cccc(OCC3CCOCC3)c2N1
InChIInChI=1S/C16H23NO2/c1-12-5-6-14-3-2-4-15(16(14)17-12)19-11-13-7-9-18-10-8-13/h2-4,12-13,17H,5-11H2,1H3
InChIKeyHYTNRWDHHGNSMW-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline (CID 62387152) is 2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline is CC1CCc2cccc(OCC3CCOCC3)c2N1.
What is the InChIKey of 2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is HYTNRWDHHGNSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-5-6-14-3-2-4-15(16(14)17-12)19-11-13-7-9-18-10-8-13/h2-4,12-13,17H,5-11H2,1H3.
What are the key properties of 2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 261.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 62387152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).