6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline

C22H32N2O — CID 154413112

IUPAC6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCOC(C1=CC=C2C(CCCN2C)C1)C1=CC=C2C(CCCN2C)C1
InChIInChI=1S/C22H32N2O/c1-23-12-4-6-16-14-18(8-10-20(16)23)22(25-3)19-9-11-21-17(15-19)7-5-13-24(21)2/h8-11,16-17,22H,4-7,12-15H2,1-3H3
InChIKeyMEDIILUJRALTEF-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.11
Rot. Bonds3

About 6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline

6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline (PubChem CID 154413112) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline
PubChem CID154413112
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCOC(C1=CC=C2C(CCCN2C)C1)C1=CC=C2C(CCCN2C)C1
InChIInChI=1S/C22H32N2O/c1-23-12-4-6-16-14-18(8-10-20(16)23)22(25-3)19-9-11-21-17(15-19)7-5-13-24(21)2/h8-11,16-17,22H,4-7,12-15H2,1-3H3
InChIKeyMEDIILUJRALTEF-UHFFFAOYSA-N
XLogP4.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
The IUPAC name of 6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline (CID 154413112) is 6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline.
What is the SMILES notation for 6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
The canonical SMILES for 6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline is COC(C1=CC=C2C(CCCN2C)C1)C1=CC=C2C(CCCN2C)C1.
What is the InChIKey of 6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
The InChIKey is MEDIILUJRALTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-23-12-4-6-16-14-18(8-10-20(16)23)22(25-3)19-9-11-21-17(15-19)7-5-13-24(21)2/h8-11,16-17,22H,4-7,12-15H2,1-3H3.
What are the key properties of 6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline?
6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline has a molecular weight of 340.51 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methoxy-(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methyl]-1-methyl-3,4,4a,5-tetrahydro-2H-quinoline is sourced from PubChem (CID 154413112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).